0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 7.12903 5.90976 5.51916 9.03536 8.38064 10.4158 8.21493 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 6.92781 5.05803 12.5273 7.03948 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 5.32694 5.46498 10.9143 6.58035 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 10.4155 8.71745 16.4009 12.1189 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 7.67038 4.54938 6.864 7.82528 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 10.3915 7.82074 11.0366 10.2708 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 7.67038 8.4674 10.4091 13.4721 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 5.03957 7.82074 12.1187 12.6444 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 7.67038 8.4674 10.4091 14.6255 numMergedOcc 0
9 mol 19 unq 5 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 5.03957 7.82074 12.1187 8.73972 numMergedOcc 0
10 mol 19 unq 6 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 7.67038 8.4674 10.4091 6.20943 numMergedOcc 0
11 mol 19 unq 7 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 5.03957 7.82074 12.1187 10.2708 numMergedOcc 0
12 mol 19 unq 8 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 7.67038 8.4674 4.51865 13.4721 numMergedOcc 0
13 mol 19 unq 9 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 5.03957 7.82074 11.0366 12.6444 numMergedOcc 0
14 mol 19 unq 10 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 7.67038 8.4674 4.51865 14.6255 numMergedOcc 0
15 mol 19 unq 11 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 5.03957 7.82074 11.0366 8.73972 numMergedOcc 0
16 mol 19 unq 12 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 7.67038 8.4674 4.51865 6.20943 numMergedOcc 0
17 mol 19 unq 13 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 5.03957 7.82074 11.0366 10.2708 numMergedOcc 0
18 mol 19 unq 14 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.67038 6.864 4.54938 7.82528 numMergedOcc 0
19 mol 19 unq 15 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 5.80928 8.4674 4.54938 9.58539 numMergedOcc 0
20 mol 19 unq 16 iso 0 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 7.67038 4.51865 10.4091 13.4721 numMergedOcc 0
21 mol 19 unq 17 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 7.67038 4.51865 10.4091 14.6255 numMergedOcc 0
22 mol 19 unq 18 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 7.67038 4.51865 10.4091 6.20943 numMergedOcc 0
23 mol 19 unq 19 iso 0 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 7.67038 4.51865 8.4674 13.4721 numMergedOcc 0
24 mol 19 unq 20 iso 0 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 7.67038 4.51865 8.4674 14.6255 numMergedOcc 0
25 mol 19 unq 21 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 7.67038 4.51865 8.4674 6.20943 numMergedOcc 0
26 mol 19 unq 22 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 7.07775 7.20519 10.4091 9.80108 numMergedOcc 0
27 mol 19 unq 23 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 5.80928 4.54938 8.4674 9.58539 numMergedOcc 0
28 mol 43 unq 0 iso 0 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 5.06502 5.73819 10.5523 13.5377 numMergedOcc 0
29 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 6.45462 8.93915 14.7803 13.7177 numMergedOcc 0
30 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 5.24762 6.43774 11.2563 7.06308 numMergedOcc 0
31 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 6.47414 6.64012 13.4544 6.46761 numMergedOcc 0
32 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 6.47414 6.64012 13.4544 7.58407 numMergedOcc 0
33 mol 58 unq 2 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 10.6169 9.4099 15.2973 13.7148 numMergedOcc 0
34 mol 58 unq 3 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 10.6169 9.4099 11.396 13.7148 numMergedOcc 0
35 mol 58 unq 4 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 9.7274 6.81627 15.2973 15.9764 numMergedOcc 0
36 mol 58 unq 5 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 numMergedOcc 0
37 mol 58 unq 6 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 9.7274 6.81627 15.2973 10.335 numMergedOcc 0
38 mol 58 unq 7 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.90225 7.32874 11.396 6.40841 numMergedOcc 0
39 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 8.24062 5.3525 11.0387 10.0246 6.85766 17.79 10.6318 numMergedOcc 0
40 mol 59 unq 1 iso 0 dist 7.71095 8.25513 8.19458 8.24062 5.3525 9.15805 10.0246 6.85766 14.0127 10.6318 numMergedOcc 0
41 mol 59 unq 2 iso 0 dist 7.71095 6.85766 10.0246 6.71911 5.33688 7.29033 12.5396 8.84665 17.79 12.8699 numMergedOcc 0
42 mol 59 unq 3 iso 0 dist 7.71095 6.85766 10.0246 6.71911 5.33688 7.29033 8.19458 8.25513 14.0127 11.6249 numMergedOcc 0
43 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 8.24309 9.78528 9.84449 11.9814 numMergedOcc 0
44 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 10.7394 8.8178 9.84449 13.3133 numMergedOcc 0
45 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.4148 6.19304 10.2049 4.65521 numMergedOcc 0
46 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 14.9342 8.70481 20.257 15.9587 numMergedOcc 0
47 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.4148 6.19304 11.6369 4.65521 numMergedOcc 0
48 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 14.9342 8.70481 10.1207 15.9587 numMergedOcc 0
49 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 6.9948 7.47541 7.66905 7.22293 numMergedOcc 0
50 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 7.22293 7.98917 11.6116 6.9948 7.97049 6.19965 9.47876 numMergedOcc 0
51 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 7.22293 7.98917 6.47779 6.9948 7.97049 11.2656 9.47876 numMergedOcc 0
52 mol 85 unq 3 iso 0 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 4.26409 7.95579 11.3023 13.6587 numMergedOcc 0
53 mol 85 unq 4 iso 0 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 6.9948 7.66905 7.47541 7.22293 numMergedOcc 0
54 mol 85 unq 5 iso 0 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 10.7229 7.95579 11.3023 13.6587 numMergedOcc 0
55 mol 85 unq 6 iso 0 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 6.9948 6.19965 7.97049 9.47876 numMergedOcc 0
56 mol 85 unq 7 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 10.7229 7.95579 15.309 13.6587 numMergedOcc 0
57 mol 85 unq 8 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 6.9948 6.19965 11.2656 9.47876 numMergedOcc 0
58 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 6.58204 10.9608 5.01145 5.88134 6.65086 10.5134 7.75343 numMergedOcc 0
59 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 6.58204 10.9608 5.69137 5.88134 6.65086 6.56369 7.75343 numMergedOcc 0
60 mol 100 unq 2 iso 0 dist 9.35224 9.60661 7.80879 6.58204 5.69137 10.9608 5.88134 6.56369 6.65086 7.75343 numMergedOcc 0
61 mol 100 unq 3 iso 0 dist 9.35224 7.17106 8.87654 6.58204 5.69137 5.01145 5.88134 6.56369 10.5134 7.75343 numMergedOcc 0
62 mol 100 unq 4 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 8.8807 6.65086 10.1409 10.5193 numMergedOcc 0
63 mol 100 unq 5 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 12.6515 6.56369 11.8665 15.8984 numMergedOcc 0
64 mol 100 unq 6 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 13.887 9.30209 13.912 14.8726 numMergedOcc 0
65 mol 100 unq 7 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 8.8807 6.65086 14.9102 10.5193 numMergedOcc 0
66 mol 100 unq 8 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 12.6515 6.56369 13.6959 15.8984 numMergedOcc 0
67 mol 100 unq 9 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 13.887 9.30209 18.2109 14.8726 numMergedOcc 0
68 mol 100 unq 10 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 5.33144 6.45675 10.1409 11.8016 numMergedOcc 0
69 mol 100 unq 11 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 10.1407 8.86688 14.9102 15.6924 numMergedOcc 0
70 mol 100 unq 12 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 5.33144 6.45675 11.8665 11.8016 numMergedOcc 0
71 mol 100 unq 13 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 10.1407 8.86688 13.6959 15.6924 numMergedOcc 0
72 mol 100 unq 14 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 5.33144 6.45675 13.912 11.8016 numMergedOcc 0
73 mol 100 unq 15 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 10.1407 8.86688 18.2109 15.6924 numMergedOcc 0
74 mol 100 unq 16 iso 0 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 5.88134 9.60661 12.0662 6.58204 numMergedOcc 0
75 mol 100 unq 17 iso 0 dist 6.65086 6.56369 7.80879 7.75343 10.9608 5.69137 5.88134 9.60661 9.35224 6.58204 numMergedOcc 0
76 mol 100 unq 18 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 5.88134 9.60661 10.5853 6.58204 numMergedOcc 0
77 mol 100 unq 19 iso 0 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 5.88134 9.35224 12.0662 6.58204 numMergedOcc 0
78 mol 100 unq 20 iso 0 dist 6.56369 6.65086 7.80879 7.75343 5.69137 10.9608 5.88134 9.35224 9.60661 6.58204 numMergedOcc 0
79 mol 100 unq 21 iso 0 dist 6.56369 9.30209 6.39938 7.75343 5.69137 9.21622 5.88134 9.35224 10.5853 6.58204 numMergedOcc 0
80 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 9.66954 6.09023 4.61908 7.69052 5.83991 7.88312 8.66155 numMergedOcc 0
81 mol 115 unq 1 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 7.69052 5.83991 7.88312 12.2309 numMergedOcc 0
82 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 8.02349 6.11741 7.88312 12.9821 numMergedOcc 0
83 mol 115 unq 3 iso 0 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 7.69052 9.33865 13.8473 9.66954 numMergedOcc 0
84 mol 115 unq 4 iso 0 dist 5.83991 7.88312 8.02349 8.66155 6.09023 4.61908 7.69052 9.33865 6.11741 9.66954 numMergedOcc 0
85 mol 115 unq 5 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.8507 7.30858 13.8473 17.6696 numMergedOcc 0
86 mol 115 unq 6 iso 0 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 8.02349 7.88312 6.11741 12.9821 numMergedOcc 0
87 mol 115 unq 7 iso 0 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.69052 7.88312 5.83991 8.66155 numMergedOcc 0
88 mol 115 unq 8 iso 0 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 7.69052 7.88312 5.83991 12.2309 numMergedOcc 0
89 mol 115 unq 9 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 8.02349 9.33865 5.83991 13.9977 numMergedOcc 0
90 mol 115 unq 10 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 8.02349 9.33865 5.83991 9.65429 numMergedOcc 0
91 mol 115 unq 11 iso 0 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 7.69052 6.11741 13.8473 9.66954 numMergedOcc 0
92 mol 115 unq 12 iso 0 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 7.69052 6.11741 9.33865 9.66954 numMergedOcc 0
93 mol 115 unq 13 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 11.5723 7.30858 13.8473 11.695 numMergedOcc 0
94 mol 115 unq 14 iso 0 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 8.02349 5.83991 9.33865 13.9977 numMergedOcc 0
95 mol 115 unq 15 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 11.5723 7.30858 13.8473 10.0603 numMergedOcc 0
96 mol 115 unq 16 iso 0 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 8.02349 5.83991 9.33865 9.65429 numMergedOcc 0
97 mol 117 unq 0 iso 0 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 7.22206 7.83136 16.5575 7.63616 numMergedOcc 0
98 mol 117 unq 1 iso 0 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 9.3584 7.0603 17.163 10.6107 numMergedOcc 0
99 mol 133 unq 0 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 11.965 6.29155 13.268 17.2931 numMergedOcc 0
100 mol 133 unq 1 iso 0 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 7.79672 6.80239 12.6651 15.1694 numMergedOcc 0
101 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.79898 9.89303 9.93925 12.0514 numMergedOcc 0
102 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 5.49782 6.37586 9.71307 5.42582 numMergedOcc 0
103 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.80819 6.49416 12.5075 8.6355 numMergedOcc 0
104 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.49782 8.94367 9.86662 8.79571 numMergedOcc 0
105 mol 134 unq 4 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.00817 6.49416 12.5075 8.6355 numMergedOcc 0
106 mol 134 unq 5 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 numMergedOcc 0
107 mol 134 unq 6 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 numMergedOcc 0
108 mol 134 unq 7 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 numMergedOcc 0
109 mol 134 unq 8 iso 0 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 numMergedOcc 0
110 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 5.32922 5.31024 7.26382 9.07935 numMergedOcc 0
111 mol 142 unq 1 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 5.32922 5.31024 11.0824 9.07935 numMergedOcc 0
112 mol 142 unq 2 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 5.32922 9.2313 7.73169 7.15475 numMergedOcc 0
113 mol 142 unq 3 iso 0 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 5.32922 7.26382 5.31024 9.07935 numMergedOcc 0
114 mol 142 unq 4 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 5.32922 7.26382 11.0824 9.07935 numMergedOcc 0
115 mol 142 unq 5 iso 0 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 5.32922 7.73169 9.2313 7.15475 numMergedOcc 0
116 mol 152 unq 0 iso 0 dist 6.70283 8.56324 7.65448 9.13561 8.25411 5.99333 5.42328 5.87555 10.399 12.4808 numMergedOcc 0
117 mol 152 unq 1 iso 0 dist 6.70283 8.56324 7.65448 9.13561 8.25411 5.99333 6.4896 8.67331 14.1618 14.1119 numMergedOcc 0
118 mol 152 unq 2 iso 0 dist 6.70283 7.16148 5.49936 9.13561 8.25411 7.89109 5.42328 5.87555 8.87437 12.4808 numMergedOcc 0
119 mol 152 unq 3 iso 0 dist 6.70283 7.16148 5.49936 9.13561 8.25411 7.89109 6.4896 8.67331 8.05741 14.1119 numMergedOcc 0
120 mol 152 unq 4 iso 0 dist 7.16148 8.56324 10.6875 9.13561 7.89109 5.99333 5.42328 8.87437 10.399 12.4808 numMergedOcc 0
121 mol 152 unq 5 iso 0 dist 7.16148 8.56324 10.6875 9.13561 7.89109 5.99333 6.4896 8.05741 14.1618 14.1119 numMergedOcc 0
122 mol 152 unq 6 iso 0 dist 7.16148 6.70283 5.49936 9.13561 7.89109 8.25411 5.42328 8.87437 5.87555 12.4808 numMergedOcc 0
123 mol 152 unq 7 iso 0 dist 7.16148 6.70283 5.49936 9.13561 7.89109 8.25411 6.4896 8.05741 8.67331 14.1119 numMergedOcc 0
124 mol 155 unq 0 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 7.66392 6.43582 10.2463 12.2465 numMergedOcc 0
125 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 9.14392 6.3845 12.1814 5.71071 6.23493 10.2463 7.16254 numMergedOcc 0
126 mol 155 unq 2 iso 0 dist 7.46303 6.43582 7.66392 7.51198 5.86939 6.34186 5.71071 6.23493 10.2463 9.86313 numMergedOcc 0
127 mol 156 unq 0 iso 0 dist 8.94056 7.44554 5.56175 6.27641 8.67156 7.29758 10.1658 7.66148 12.0598 10.9818 numMergedOcc 0
128 mol 156 unq 1 iso 0 dist 8.94056 9.83699 11.2719 6.27641 8.67156 4.53931 10.1658 7.66148 15.1382 10.9818 numMergedOcc 0
129 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 9.8589 8.22779 10.5631 7.42466 7.652 9.92231 7.24908 numMergedOcc 0
130 mol 175 unq 1 iso 0 dist 9.0018 6.57069 8.16421 9.8589 8.22779 7.5414 7.42466 7.652 10.2623 7.24908 numMergedOcc 0
131 mol 175 unq 2 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 6.2715 5.6234 9.92231 12.816 numMergedOcc 0
132 mol 175 unq 3 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 8.16421 6.57069 10.2623 11.3137 numMergedOcc 0
133 mol 175 unq 4 iso 0 dist 7.652 9.92231 6.2715 7.24908 8.22779 10.5631 7.42466 9.0018 5.6234 9.8589 numMergedOcc 0
134 mol 175 unq 5 iso 0 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 6.2715 9.92231 5.6234 12.816 numMergedOcc 0
135 mol 175 unq 6 iso 0 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 7.42466 9.92231 7.652 7.24908 numMergedOcc 0
136 mol 175 unq 7 iso 0 dist 5.6234 6.57069 5.35493 9.8589 10.5631 7.5414 7.42466 9.92231 10.2623 7.24908 numMergedOcc 0
137 mol 175 unq 8 iso 0 dist 5.6234 9.92231 7.42466 9.0664 5.28109 7.14477 6.2715 9.0018 7.652 10.689 numMergedOcc 0
138 mol 175 unq 9 iso 0 dist 5.6234 9.92231 7.42466 9.0664 5.28109 7.14477 5.35493 6.57069 10.2623 11.5506 numMergedOcc 0
139 mol 175 unq 10 iso 0 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 7.42466 5.6234 9.0018 9.8589 numMergedOcc 0
140 mol 175 unq 11 iso 0 dist 9.92231 5.6234 7.42466 9.0664 7.14477 5.28109 6.2715 7.652 9.0018 10.689 numMergedOcc 0
141 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 13.2049 8.03334 10.7062 12.1309 numMergedOcc 0
142 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 13.2049 8.03334 10.7062 12.2058 numMergedOcc 0
143 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 13.2049 8.03334 14.9794 12.1309 numMergedOcc 0
144 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 13.2049 8.03334 14.9794 12.2058 numMergedOcc 0
145 mol 181 unq 4 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 10.1912 9.09537 15.0228 14.4632 numMergedOcc 0
146 mol 181 unq 5 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 10.1912 9.09537 15.0228 15.4777 numMergedOcc 0
147 mol 181 unq 6 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 10.1912 9.09537 12.9862 14.4632 numMergedOcc 0
148 mol 181 unq 7 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 10.1912 9.09537 12.9862 15.4777 numMergedOcc 0
149 mol 181 unq 8 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 8.88798 9.1374 15.0228 10.2276 numMergedOcc 0
150 mol 181 unq 9 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 5.16002 9.15386 12.9862 11.968 numMergedOcc 0
151 mol 181 unq 10 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 8.88798 9.1374 15.0228 10.7636 numMergedOcc 0
152 mol 181 unq 11 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 5.16002 9.15386 12.9862 11.8099 numMergedOcc 0
153 mol 224 unq 0 iso 0 dist 6.57273 8.95269 4.70378 6.87664 7.12232 7.98696 5.0744 6.60589 9.99123 10.8259 numMergedOcc 0
154 mol 224 unq 1 iso 0 dist 6.57273 5.78342 8.49799 6.87664 7.12232 5.3621 5.0744 6.60589 9.16166 10.8259 numMergedOcc 0
155 mol 224 unq 2 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 4.70378 8.95269 9.99123 6.67585 numMergedOcc 0
156 mol 224 unq 3 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 8.49799 5.78342 9.16166 10.667 numMergedOcc 0
157 mol 224 unq 4 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 6.77699 6.65832 10.103 11.0097 numMergedOcc 0
158 mol 224 unq 5 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 8.49799 9.16166 5.78342 10.667 numMergedOcc 0
159 mol 224 unq 6 iso 0 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 5.0744 9.16166 9.99123 10.8259 numMergedOcc 0
160 mol 224 unq 7 iso 0 dist 5.78342 8.95269 11.5372 6.87664 5.3621 7.98696 5.60236 5.81334 14.0676 10.2775 numMergedOcc 0
161 mol 224 unq 8 iso 0 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 5.0744 9.16166 6.60589 10.8259 numMergedOcc 0
162 mol 224 unq 9 iso 0 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 5.60236 5.81334 10.5128 10.2775 numMergedOcc 0
163 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 6.99063 9.34734 10.4905 12.4085 numMergedOcc 0
164 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.22356 8.65997 10.8157 6.95902 numMergedOcc 0
165 mol 227 unq 2 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 10.8658 7.56888 11.0431 11.004 numMergedOcc 0
166 mol 227 unq 3 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 12.4689 7.55216 10.0334 12.8864 numMergedOcc 0
167 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 5.88703 9.45496 12.9605 7.85175 numMergedOcc 0
168 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 5.88703 9.45496 6.7625 7.85175 numMergedOcc 0
169 mol 234 unq 2 iso 0 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 5.88703 6.7625 12.9605 7.85175 numMergedOcc 0
170 mol 234 unq 3 iso 0 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 5.88703 6.7625 9.45496 7.85175 numMergedOcc 0
171 mol 234 unq 4 iso 0 dist 9.45496 6.7625 7.82322 9.5707 15.9563 14.4106 5.88703 6.56247 9.36357 10.3388 numMergedOcc 0
172 mol 234 unq 5 iso 0 dist 9.45496 6.7625 7.82322 7.85175 11.216 11.4315 5.88703 6.56247 9.36357 6.25105 numMergedOcc 0
173 mol 234 unq 6 iso 0 dist 6.7625 9.45496 7.82322 9.5707 14.4106 15.9563 5.88703 9.36357 6.56247 10.3388 numMergedOcc 0
174 mol 234 unq 7 iso 0 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 5.88703 9.36357 6.56247 6.25105 numMergedOcc 0
175 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 7.17676 11.8759 11.3552 7.28249 9.81562 7.68742 5.34718 numMergedOcc 0
176 mol 236 unq 1 iso 0 dist 8.03456 6.84306 5.79505 6.68463 9.07822 11.6837 7.28249 9.81562 7.68742 10.5713 numMergedOcc 0
177 mol 236 unq 2 iso 0 dist 8.03456 9.99038 9.90963 7.17676 11.8759 6.04825 7.28249 9.81562 6.27581 5.34718 numMergedOcc 0
178 mol 236 unq 3 iso 0 dist 8.03456 9.99038 9.90963 6.68463 9.07822 8.8265 7.28249 9.81562 6.27581 10.5713 numMergedOcc 0
179 mol 236 unq 4 iso 0 dist 8.03456 9.78037 6.96005 7.17676 11.8759 12.6468 7.28249 9.81562 13.499 5.34718 numMergedOcc 0
180 mol 236 unq 5 iso 0 dist 8.03456 9.78037 6.96005 6.68463 9.07822 5.80136 7.28249 9.81562 13.499 10.5713 numMergedOcc 0
181 mol 236 unq 6 iso 0 dist 8.03456 8.35971 14.2337 7.17676 11.8759 6.40312 7.28249 9.81562 11.2141 5.34718 numMergedOcc 0
182 mol 236 unq 7 iso 0 dist 8.03456 8.35971 14.2337 6.68463 9.07822 6.2568 7.28249 9.81562 11.2141 10.5713 numMergedOcc 0
183 mol 236 unq 8 iso 0 dist 6.84306 8.03456 5.79505 7.17676 11.3552 11.8759 7.28249 7.68742 9.81562 5.34718 numMergedOcc 0
184 mol 236 unq 9 iso 0 dist 6.84306 8.03456 5.79505 6.68463 11.6837 9.07822 7.28249 7.68742 9.81562 10.5713 numMergedOcc 0
185 mol 236 unq 10 iso 0 dist 6.84306 9.99038 11.3368 7.17676 11.3552 6.04825 7.28249 7.68742 6.27581 5.34718 numMergedOcc 0
186 mol 236 unq 11 iso 0 dist 6.84306 9.99038 11.3368 6.68463 11.6837 8.8265 7.28249 7.68742 6.27581 10.5713 numMergedOcc 0
187 mol 236 unq 12 iso 0 dist 6.84306 9.78037 11.8739 7.17676 11.3552 12.6468 7.28249 7.68742 13.499 5.34718 numMergedOcc 0
188 mol 236 unq 13 iso 0 dist 6.84306 9.78037 11.8739 6.68463 11.6837 5.80136 7.28249 7.68742 13.499 10.5713 numMergedOcc 0
189 mol 236 unq 14 iso 0 dist 6.84306 8.35971 14.7998 7.17676 11.3552 6.40312 7.28249 7.68742 11.2141 5.34718 numMergedOcc 0
190 mol 236 unq 15 iso 0 dist 6.84306 8.35971 14.7998 6.68463 11.6837 6.2568 7.28249 7.68742 11.2141 10.5713 numMergedOcc 0
191 mol 236 unq 16 iso 0 dist 9.99038 8.03456 9.90963 7.17676 6.04825 11.8759 7.28249 6.27581 9.81562 5.34718 numMergedOcc 0
192 mol 236 unq 17 iso 0 dist 9.99038 8.03456 9.90963 6.68463 8.8265 9.07822 7.28249 6.27581 9.81562 10.5713 numMergedOcc 0
193 mol 236 unq 18 iso 0 dist 9.99038 6.84306 11.3368 7.17676 6.04825 11.3552 7.28249 6.27581 7.68742 5.34718 numMergedOcc 0
194 mol 236 unq 19 iso 0 dist 9.99038 6.84306 11.3368 6.68463 8.8265 11.6837 7.28249 6.27581 7.68742 10.5713 numMergedOcc 0
195 mol 236 unq 20 iso 0 dist 9.99038 9.78037 11.1557 7.17676 6.04825 12.6468 7.28249 6.27581 13.499 5.34718 numMergedOcc 0
196 mol 236 unq 21 iso 0 dist 9.99038 9.78037 11.1557 6.68463 8.8265 5.80136 7.28249 6.27581 13.499 10.5713 numMergedOcc 0
197 mol 236 unq 22 iso 0 dist 9.99038 8.35971 10.7497 7.17676 6.04825 6.40312 7.28249 6.27581 11.2141 5.34718 numMergedOcc 0
198 mol 236 unq 23 iso 0 dist 9.99038 8.35971 10.7497 6.68463 8.8265 6.2568 7.28249 6.27581 11.2141 10.5713 numMergedOcc 0
199 mol 236 unq 24 iso 0 dist 8.35971 8.03456 14.2337 7.17676 6.40312 11.8759 7.43758 8.04248 15.1853 10.6445 numMergedOcc 0
200 mol 236 unq 25 iso 0 dist 8.35971 8.03456 14.2337 6.68463 6.2568 9.07822 7.43758 8.04248 15.1853 10.5433 numMergedOcc 0
201 mol 236 unq 26 iso 0 dist 8.35971 6.84306 14.7998 7.17676 6.40312 11.3552 7.43758 8.04248 13.5269 10.6445 numMergedOcc 0
202 mol 236 unq 27 iso 0 dist 8.35971 6.84306 14.7998 6.68463 6.2568 11.6837 7.43758 8.04248 13.5269 10.5433 numMergedOcc 0
203 mol 236 unq 28 iso 0 dist 8.35971 9.99038 10.7497 7.17676 6.40312 6.04825 7.43758 8.04248 15.7308 10.6445 numMergedOcc 0
204 mol 236 unq 29 iso 0 dist 8.35971 9.99038 10.7497 6.68463 6.2568 8.8265 7.43758 8.04248 15.7308 10.5433 numMergedOcc 0
205 mol 236 unq 30 iso 0 dist 8.35971 9.78037 12.0369 7.17676 6.40312 12.6468 7.43758 8.04248 14.9122 10.6445 numMergedOcc 0
206 mol 236 unq 31 iso 0 dist 8.35971 9.78037 12.0369 6.68463 6.2568 5.80136 7.43758 8.04248 14.9122 10.5433 numMergedOcc 0
207 mol 236 unq 32 iso 0 dist 9.81562 7.68742 5.79505 5.34718 11.8759 11.3552 7.28249 8.03456 6.84306 7.17676 numMergedOcc 0
208 mol 236 unq 33 iso 0 dist 9.81562 6.27581 9.90963 5.34718 11.8759 6.04825 7.28249 8.03456 9.99038 7.17676 numMergedOcc 0
209 mol 236 unq 34 iso 0 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 7.28249 6.84306 8.03456 7.17676 numMergedOcc 0
210 mol 236 unq 35 iso 0 dist 7.68742 6.27581 11.3368 5.34718 11.3552 6.04825 7.28249 6.84306 9.99038 7.17676 numMergedOcc 0
211 mol 236 unq 36 iso 0 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 7.28249 9.99038 8.03456 7.17676 numMergedOcc 0
212 mol 236 unq 37 iso 0 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 7.28249 9.99038 6.84306 7.17676 numMergedOcc 0
213 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 7.66365 4.23801 9.37715 8.41807 8.1715 9.2288 10.165 numMergedOcc 0
214 mol 252 unq 1 iso 0 dist 8.33025 8.1148 6.0987 7.66365 9.37715 4.23801 8.41807 9.2288 8.1715 10.165 numMergedOcc 0
215 mol 252 unq 2 iso 0 dist 8.33025 8.1148 6.0987 7.66365 9.37715 4.23801 14.9102 7.19638 10.5136 14.7097 numMergedOcc 0
216 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 4.69778 8.13497 9.95973 10.9591 numMergedOcc 0
217 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 4.69778 8.13497 10.3935 10.9591 numMergedOcc 0
218 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 4.69778 8.13497 12.6839 10.9591 numMergedOcc 0
219 mol 272 unq 0 iso 0 dist 8.46116 9.97651 8.12676 9.09992 5.63139 10.841 5.40809 8.33638 13.2494 6.73206 numMergedOcc 0
220 mol 272 unq 1 iso 0 dist 8.46116 9.97651 8.12676 6.16449 8.52877 4.72202 5.40809 8.33638 13.2494 10.1966 numMergedOcc 0
