0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 13.2247 12.2333 9.36807 10.5461 12.2041 10.515 7.10621 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 9.36807 10.515 13.2247 10.5461 6.36911 12.2333 12.2041 6.06176 8.41585 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 9.03536 9.97507 7.12903 10.4158 5.17568 5.51916 6.82505 numMergedOcc 0
3 mol 15 unq 0 iso 1 dist 6.82505 7.12903 5.51916 9.03536 10.4158 8.21493 9.97507 5.17568 5.90976 8.38064 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 5.05803 7.03948 6.2983 6.92781 6.31718 5.47769 12.5273 10.8455 5.94084 7.63133 numMergedOcc 0
5 mol 16 unq 0 iso 1 dist 7.63133 5.47769 5.94084 6.92781 12.5273 7.03948 6.31718 10.8455 6.2983 5.05803 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 5.05803 7.03948 6.2983 10.7015 10.9143 6.58035 12.5273 10.8455 5.94084 5.46498 numMergedOcc 0
7 mol 16 unq 1 iso 1 dist 5.46498 6.58035 5.94084 10.7015 12.5273 7.03948 10.9143 10.8455 6.2983 5.05803 numMergedOcc 0
8 mol 16 unq 2 iso 0 dist 6.31718 5.47769 6.2983 5.32694 10.9143 6.58035 7.63133 10.8455 5.94084 5.46498 numMergedOcc 0
9 mol 16 unq 2 iso 1 dist 5.46498 6.58035 5.94084 5.32694 7.63133 5.47769 10.9143 10.8455 6.2983 6.31718 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 7.20519 8.23643 11.0832 5.03957 12.1187 8.73972 4.54938 7.34551 6.55187 7.82074 numMergedOcc 0
11 mol 19 unq 0 iso 1 dist 7.82074 8.73972 6.55187 5.03957 4.54938 8.23643 12.1187 7.34551 11.0832 7.20519 numMergedOcc 0
12 mol 19 unq 1 iso 0 dist 7.20519 7.82528 10.4988 7.67038 10.4091 6.20943 4.54938 7.34551 5.14627 8.4674 numMergedOcc 0
13 mol 19 unq 1 iso 1 dist 8.4674 6.20943 5.14627 7.67038 4.54938 7.82528 10.4091 7.34551 10.4988 7.20519 numMergedOcc 0
14 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 7.67038 10.4091 6.20943 6.864 7.07775 4.69858 4.51865 numMergedOcc 0
15 mol 19 unq 2 iso 1 dist 4.51865 6.20943 4.69858 7.67038 6.864 7.82528 10.4091 7.07775 10.4988 7.20519 numMergedOcc 0
16 mol 19 unq 3 iso 0 dist 7.20519 9.80108 5.5841 7.07775 6.864 8.58657 10.4091 7.67038 6.74265 4.51865 numMergedOcc 0
17 mol 19 unq 3 iso 1 dist 4.51865 8.58657 6.74265 7.07775 10.4091 9.80108 6.864 7.67038 5.5841 7.20519 numMergedOcc 0
18 mol 19 unq 2 iso 0 dist 8.4674 6.20943 5.14627 7.67038 4.54938 7.82528 4.51865 5.80928 4.69858 6.864 numMergedOcc 0
19 mol 19 unq 2 iso 1 dist 6.864 7.82528 4.69858 7.67038 4.51865 6.20943 4.54938 5.80928 5.14627 8.4674 numMergedOcc 0
20 mol 19 unq 3 iso 0 dist 4.54938 7.82528 5.14627 7.67038 8.4674 6.20943 6.864 5.80928 4.69858 4.51865 numMergedOcc 0
21 mol 19 unq 3 iso 1 dist 4.51865 6.20943 4.69858 7.67038 6.864 7.82528 8.4674 5.80928 5.14627 4.54938 numMergedOcc 0
22 mol 19 unq 1 iso 0 dist 7.82074 8.73972 6.55187 5.03957 4.54938 8.23643 11.0366 5.80928 12.3093 6.864 numMergedOcc 0
23 mol 19 unq 1 iso 1 dist 6.864 8.23643 12.3093 5.03957 11.0366 8.73972 4.54938 5.80928 6.55187 7.82074 numMergedOcc 0
24 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 5.24762 7.2846 6.34173 11.2563 8.81358 5.67689 7.58835 numMergedOcc 0
25 mol 45 unq 0 iso 1 dist 7.58835 6.34173 5.67689 5.24762 11.2563 7.06308 7.2846 8.81358 4.71384 6.43774 numMergedOcc 0
26 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 11.0466 13.4544 7.58407 11.396 10.6169 5.11205 6.64012 numMergedOcc 0
27 mol 58 unq 0 iso 1 dist 6.64012 7.58407 5.11205 11.0466 11.396 6.40841 13.4544 10.6169 6.75888 7.32874 numMergedOcc 0
28 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 5.90225 9.55426 6.31428 11.396 10.6169 5.11205 9.4099 numMergedOcc 0
29 mol 58 unq 1 iso 1 dist 9.4099 6.31428 5.11205 5.90225 11.396 6.40841 9.55426 10.6169 6.75888 7.32874 numMergedOcc 0
30 mol 58 unq 2 iso 0 dist 6.86465 8.63333 6.47744 10.8153 10.3224 6.46761 13.497 9.94737 5.24906 6.64012 numMergedOcc 0
31 mol 58 unq 2 iso 1 dist 6.64012 6.46761 5.24906 10.8153 13.497 8.63333 10.3224 9.94737 6.47744 6.86465 numMergedOcc 0
32 mol 58 unq 3 iso 0 dist 6.86465 8.63333 6.47744 14.5953 15.4557 9.73139 13.497 9.94737 5.24906 9.4099 numMergedOcc 0
33 mol 58 unq 3 iso 1 dist 9.4099 9.73139 5.24906 14.5953 13.497 8.63333 15.4557 9.94737 6.47744 6.86465 numMergedOcc 0
34 mol 58 unq 4 iso 0 dist 6.86465 8.63333 6.47744 14.5953 15.4557 9.73139 20.7459 19.4068 13.1021 9.55426 numMergedOcc 0
35 mol 58 unq 4 iso 1 dist 9.55426 9.73139 13.1021 14.5953 20.7459 8.63333 15.4557 19.4068 6.47744 6.86465 numMergedOcc 0
36 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 8.62958 10.3224 6.46761 12.1902 9.94737 5.24906 6.64012 numMergedOcc 0
37 mol 58 unq 5 iso 1 dist 6.64012 6.46761 5.24906 8.62958 12.1902 8.89374 10.3224 9.94737 6.47744 6.35756 numMergedOcc 0
38 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 14.176 15.4557 9.73139 12.1902 9.94737 5.24906 9.4099 numMergedOcc 0
39 mol 58 unq 6 iso 1 dist 9.4099 9.73139 5.24906 14.176 12.1902 8.89374 15.4557 9.94737 6.47744 6.35756 numMergedOcc 0
40 mol 58 unq 7 iso 0 dist 6.35756 8.89374 6.47744 14.176 15.4557 9.73139 20.984 19.4068 13.1021 9.55426 numMergedOcc 0
41 mol 58 unq 7 iso 1 dist 9.55426 9.73139 13.1021 14.176 20.984 8.89374 15.4557 19.4068 6.47744 6.35756 numMergedOcc 0
42 mol 58 unq 6 iso 0 dist 6.64012 6.46761 5.24906 6.47414 9.4099 9.73139 13.4544 10.6169 13.1021 9.55426 numMergedOcc 0
43 mol 58 unq 6 iso 1 dist 9.55426 9.73139 13.1021 6.47414 13.4544 6.46761 9.4099 10.6169 5.24906 6.64012 numMergedOcc 0
44 mol 58 unq 1 iso 0 dist 6.64012 7.58407 5.11205 6.47414 9.4099 6.31428 13.4544 10.6169 6.75888 9.55426 numMergedOcc 0
45 mol 58 unq 1 iso 1 dist 9.55426 6.31428 6.75888 6.47414 13.4544 7.58407 9.4099 10.6169 5.11205 6.64012 numMergedOcc 0
46 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 7.4697 8.9232 5.64598 13.1662 11.8291 9.77992 5.93252 numMergedOcc 0
47 mol 73 unq 0 iso 1 dist 5.93252 5.64598 9.77992 7.4697 13.1662 8.70133 8.9232 11.8291 13.4082 9.38498 numMergedOcc 0
48 mol 73 unq 1 iso 0 dist 9.38498 8.70133 13.4082 5.4148 10.2049 4.65521 9.96396 15.7123 7.41074 6.19304 numMergedOcc 0
49 mol 73 unq 1 iso 1 dist 6.19304 4.65521 7.41074 5.4148 9.96396 8.70133 10.2049 15.7123 13.4082 9.38498 numMergedOcc 0
50 mol 73 unq 1 iso 0 dist 5.93252 5.64598 9.77992 7.4697 13.1662 8.70133 11.4799 16.5689 7.41074 9.96396 numMergedOcc 0
51 mol 73 unq 1 iso 1 dist 9.96396 8.70133 7.41074 7.4697 11.4799 5.64598 13.1662 16.5689 9.77992 5.93252 numMergedOcc 0
52 mol 73 unq 2 iso 0 dist 5.93252 5.64598 9.77992 7.4697 13.1662 8.70133 16.0453 21.7714 15.9882 9.75218 numMergedOcc 0
53 mol 73 unq 2 iso 1 dist 9.75218 8.70133 15.9882 7.4697 16.0453 5.64598 13.1662 21.7714 9.77992 5.93252 numMergedOcc 0
54 mol 73 unq 3 iso 0 dist 5.93252 5.64598 9.77992 5.7113 11.379 4.65521 11.4799 16.5689 7.41074 6.19304 numMergedOcc 0
55 mol 73 unq 3 iso 1 dist 6.19304 4.65521 7.41074 5.7113 11.4799 5.64598 11.379 16.5689 9.77992 5.93252 numMergedOcc 0
56 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 5.4148 9.96396 8.70133 11.6369 12.016 15.9882 9.75218 numMergedOcc 0
57 mol 73 unq 2 iso 1 dist 9.75218 8.70133 15.9882 5.4148 11.6369 4.65521 9.96396 12.016 7.41074 6.19304 numMergedOcc 0
58 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 6.9948 7.47541 7.22293 6.19965 5.42586 11.6116 7.66905 numMergedOcc 0
59 mol 85 unq 0 iso 1 dist 7.66905 7.22293 11.6116 6.9948 6.19965 9.47876 7.47541 5.42586 7.98917 7.97049 numMergedOcc 0
60 mol 85 unq 1 iso 0 dist 7.97049 9.47876 7.98917 6.9948 7.47541 7.22293 11.2656 6.87425 6.47779 5.73196 numMergedOcc 0
61 mol 85 unq 1 iso 1 dist 5.73196 7.22293 6.47779 6.9948 11.2656 9.47876 7.47541 6.87425 7.98917 7.97049 numMergedOcc 0
62 mol 85 unq 2 iso 0 dist 7.47541 7.22293 7.98917 6.9948 7.97049 9.47876 7.66905 5.42586 11.6116 6.19965 numMergedOcc 0
63 mol 85 unq 2 iso 1 dist 6.19965 9.47876 11.6116 6.9948 7.66905 7.22293 7.97049 5.42586 7.98917 7.47541 numMergedOcc 0
64 mol 85 unq 3 iso 0 dist 6.19965 9.47876 11.6116 6.9948 7.66905 7.22293 11.2656 10.1164 6.47779 5.73196 numMergedOcc 0
65 mol 85 unq 3 iso 1 dist 5.73196 7.22293 6.47779 6.9948 11.2656 9.47876 7.66905 10.1164 11.6116 6.19965 numMergedOcc 0
66 mol 100 unq 0 iso 0 dist 9.60661 6.58204 10.9608 5.88134 6.65086 7.75343 12.0662 8.8807 15.209 7.47343 numMergedOcc 0
67 mol 100 unq 0 iso 1 dist 7.47343 7.75343 15.209 5.88134 12.0662 6.58204 6.65086 8.8807 10.9608 9.60661 numMergedOcc 0
68 mol 100 unq 1 iso 0 dist 9.60661 6.58204 10.9608 5.88134 6.65086 7.75343 9.35224 7.80879 5.69137 6.56369 numMergedOcc 0
69 mol 100 unq 1 iso 1 dist 6.56369 7.75343 5.69137 5.88134 9.35224 6.58204 6.65086 7.80879 10.9608 9.60661 numMergedOcc 0
70 mol 100 unq 2 iso 0 dist 9.60661 6.58204 10.9608 5.88134 6.65086 7.75343 10.5853 5.38414 9.21622 9.30209 numMergedOcc 0
71 mol 100 unq 2 iso 1 dist 9.30209 7.75343 9.21622 5.88134 10.5853 6.58204 6.65086 5.38414 10.9608 9.60661 numMergedOcc 0
72 mol 100 unq 3 iso 0 dist 7.17106 6.58204 5.01145 5.88134 10.5134 7.75343 12.0662 17.5254 15.209 7.47343 numMergedOcc 0
73 mol 100 unq 3 iso 1 dist 7.47343 7.75343 15.209 5.88134 12.0662 6.58204 10.5134 17.5254 5.01145 7.17106 numMergedOcc 0
74 mol 100 unq 4 iso 0 dist 7.17106 6.58204 5.01145 5.88134 10.5134 7.75343 9.60661 11.5403 10.9608 6.65086 numMergedOcc 0
75 mol 100 unq 4 iso 1 dist 6.65086 7.75343 10.9608 5.88134 9.60661 6.58204 10.5134 11.5403 5.01145 7.17106 numMergedOcc 0
76 mol 100 unq 5 iso 0 dist 7.17106 6.58204 5.01145 5.88134 10.5134 7.75343 9.35224 8.87654 5.69137 6.56369 numMergedOcc 0
77 mol 100 unq 5 iso 1 dist 6.56369 7.75343 5.69137 5.88134 9.35224 6.58204 10.5134 8.87654 5.01145 7.17106 numMergedOcc 0
78 mol 100 unq 6 iso 0 dist 7.17106 6.58204 5.01145 5.88134 10.5134 7.75343 10.5853 8.7812 9.21622 9.30209 numMergedOcc 0
79 mol 100 unq 6 iso 1 dist 9.30209 7.75343 9.21622 5.88134 10.5853 6.58204 10.5134 8.7812 5.01145 7.17106 numMergedOcc 0
80 mol 100 unq 7 iso 0 dist 9.35224 6.58204 5.69137 5.88134 6.56369 7.75343 12.0662 12.6515 15.209 7.47343 numMergedOcc 0
81 mol 100 unq 7 iso 1 dist 7.47343 7.75343 15.209 5.88134 12.0662 6.58204 6.56369 12.6515 5.69137 9.35224 numMergedOcc 0
82 mol 100 unq 8 iso 0 dist 9.35224 6.58204 5.69137 5.88134 6.56369 7.75343 9.60661 7.80879 10.9608 6.65086 numMergedOcc 0
83 mol 100 unq 8 iso 1 dist 6.65086 7.75343 10.9608 5.88134 9.60661 6.58204 6.56369 7.80879 5.69137 9.35224 numMergedOcc 0
84 mol 100 unq 9 iso 0 dist 9.35224 6.58204 5.69137 5.88134 6.56369 7.75343 10.5853 6.39938 9.21622 9.30209 numMergedOcc 0
85 mol 100 unq 9 iso 1 dist 9.30209 7.75343 9.21622 5.88134 10.5853 6.58204 6.56369 6.39938 5.69137 9.35224 numMergedOcc 0
86 mol 114 unq 0 iso 0 dist 7.5732 8.71128 5.80557 5.59517 10.1027 7.52743 10.1937 8.94198 4.77056 7.35754 numMergedOcc 0
87 mol 114 unq 0 iso 1 dist 7.35754 7.52743 4.77056 5.59517 10.1937 8.71128 10.1027 8.94198 5.80557 7.5732 numMergedOcc 0
88 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 7.69052 13.8473 9.66954 5.83991 10.8507 6.09023 9.33865 numMergedOcc 0
89 mol 115 unq 0 iso 1 dist 9.33865 9.66954 6.09023 7.69052 5.83991 8.66155 13.8473 10.8507 11.3902 7.30858 numMergedOcc 0
90 mol 115 unq 1 iso 0 dist 7.30858 8.66155 11.3902 7.69052 13.8473 9.66954 7.88312 11.5723 4.61908 6.11741 numMergedOcc 0
91 mol 115 unq 1 iso 1 dist 6.11741 9.66954 4.61908 7.69052 7.88312 8.66155 13.8473 11.5723 11.3902 7.30858 numMergedOcc 0
92 mol 115 unq 1 iso 0 dist 9.33865 9.66954 6.09023 7.69052 5.83991 8.66155 6.11741 8.02349 4.61908 7.88312 numMergedOcc 0
93 mol 115 unq 1 iso 1 dist 7.88312 8.66155 4.61908 7.69052 6.11741 9.66954 5.83991 8.02349 6.09023 9.33865 numMergedOcc 0
94 mol 115 unq 2 iso 0 dist 5.83991 8.66155 6.09023 7.69052 9.33865 9.66954 7.88312 8.02349 4.61908 6.11741 numMergedOcc 0
95 mol 115 unq 2 iso 1 dist 6.11741 9.66954 4.61908 7.69052 7.88312 8.66155 9.33865 8.02349 6.09023 5.83991 numMergedOcc 0
96 mol 117 unq 0 iso 0 dist 9.84395 6.62561 11.3679 7.22206 16.5575 7.63616 7.90328 13.1058 4.91401 7.83136 numMergedOcc 0
97 mol 117 unq 0 iso 1 dist 7.83136 7.63616 4.91401 7.22206 7.90328 6.62561 16.5575 13.1058 11.3679 9.84395 numMergedOcc 0
98 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 12.4603 12.6489 7.44174 10.3704 4.85907 7.36192 9.87172 numMergedOcc 0
99 mol 119 unq 0 iso 1 dist 9.87172 7.44174 7.36192 12.4603 10.3704 9.63176 12.6489 4.85907 10.6679 8.73993 numMergedOcc 0
100 mol 119 unq 1 iso 0 dist 9.87172 6.19042 6.35763 9.22558 10.1813 8.43904 13.9919 10.9871 10.3457 6.18601 numMergedOcc 0
101 mol 119 unq 1 iso 1 dist 6.18601 8.43904 10.3457 9.22558 13.9919 6.19042 10.1813 10.9871 6.35763 9.87172 numMergedOcc 0
102 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 8.80819 11.9139 8.79571 6.49416 5.00526 5.41704 8.94367 numMergedOcc 0
103 mol 134 unq 0 iso 1 dist 8.94367 8.79571 5.41704 8.80819 6.49416 8.6355 11.9139 5.00526 10.1448 6.54501 numMergedOcc 0
104 mol 134 unq 1 iso 0 dist 6.54501 8.6355 10.1448 8.80819 11.9139 8.79571 12.5075 11.3271 6.17103 9.86662 numMergedOcc 0
105 mol 134 unq 1 iso 1 dist 9.86662 8.79571 6.17103 8.80819 12.5075 8.6355 11.9139 11.3271 10.1448 6.54501 numMergedOcc 0
106 mol 134 unq 2 iso 0 dist 6.54501 8.6355 10.1448 5.00817 9.5126 5.42582 6.49416 5.00526 5.41704 6.37586 numMergedOcc 0
107 mol 134 unq 2 iso 1 dist 6.37586 5.42582 5.41704 5.00817 6.49416 8.6355 9.5126 5.00526 10.1448 6.54501 numMergedOcc 0
108 mol 134 unq 3 iso 0 dist 6.54501 8.6355 10.1448 5.00817 9.5126 5.42582 12.5075 11.3271 6.17103 9.71307 numMergedOcc 0
109 mol 134 unq 3 iso 1 dist 9.71307 5.42582 6.17103 5.00817 12.5075 8.6355 9.5126 11.3271 10.1448 6.54501 numMergedOcc 0
110 mol 134 unq 4 iso 0 dist 8.94367 8.79571 5.41704 5.49782 6.37586 5.42582 9.86662 6.81259 6.17103 9.71307 numMergedOcc 0
111 mol 134 unq 4 iso 1 dist 9.71307 5.42582 6.17103 5.49782 9.86662 8.79571 6.37586 6.81259 5.41704 8.94367 numMergedOcc 0
112 mol 134 unq 1 iso 0 dist 6.37586 5.42582 5.41704 5.49782 8.94367 8.79571 9.71307 6.81259 6.17103 9.86662 numMergedOcc 0
113 mol 134 unq 1 iso 1 dist 9.86662 8.79571 6.17103 5.49782 9.71307 5.42582 8.94367 6.81259 5.41704 6.37586 numMergedOcc 0
114 mol 134 unq 3 iso 0 dist 6.49416 8.6355 5.41704 8.80819 8.94367 8.79571 12.5075 6.81259 6.17103 9.86662 numMergedOcc 0
115 mol 134 unq 3 iso 1 dist 9.86662 8.79571 6.17103 8.80819 12.5075 8.6355 8.94367 6.81259 5.41704 6.49416 numMergedOcc 0
116 mol 134 unq 4 iso 0 dist 6.49416 8.6355 5.41704 5.00817 6.37586 5.42582 12.5075 6.81259 6.17103 9.71307 numMergedOcc 0
117 mol 134 unq 4 iso 1 dist 9.71307 5.42582 6.17103 5.00817 12.5075 8.6355 6.37586 6.81259 5.41704 6.49416 numMergedOcc 0
118 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 5.32922 5.31024 9.07935 7.73169 5.50998 7.53854 7.26382 numMergedOcc 0
119 mol 142 unq 0 iso 1 dist 7.26382 9.07935 7.53854 5.32922 7.73169 7.15475 5.31024 5.50998 9.49653 9.2313 numMergedOcc 0
120 mol 142 unq 1 iso 0 dist 5.31024 9.07935 9.49653 5.32922 9.2313 7.15475 7.26382 5.50998 7.53854 7.73169 numMergedOcc 0
121 mol 142 unq 1 iso 1 dist 7.73169 7.15475 7.53854 5.32922 7.26382 9.07935 9.2313 5.50998 9.49653 5.31024 numMergedOcc 0
122 mol 142 unq 2 iso 0 dist 5.31024 9.07935 9.49653 5.32922 9.2313 7.15475 11.0824 11.1395 10.3477 8.96657 numMergedOcc 0
123 mol 142 unq 2 iso 1 dist 8.96657 7.15475 10.3477 5.32922 11.0824 9.07935 9.2313 11.1395 9.49653 5.31024 numMergedOcc 0
124 mol 142 unq 1 iso 0 dist 7.26382 9.07935 7.53854 5.32922 7.73169 7.15475 11.0824 5.92693 10.3477 8.96657 numMergedOcc 0
125 mol 142 unq 1 iso 1 dist 8.96657 7.15475 10.3477 5.32922 11.0824 9.07935 7.73169 5.92693 7.53854 7.26382 numMergedOcc 0
126 mol 155 unq 0 iso 0 dist 6.23493 7.16254 6.3845 5.71071 7.46303 9.14392 10.2463 7.66392 12.1814 6.43582 numMergedOcc 0
127 mol 155 unq 0 iso 1 dist 6.43582 9.14392 12.1814 5.71071 10.2463 7.16254 7.46303 7.66392 6.3845 6.23493 numMergedOcc 0
128 mol 155 unq 1 iso 0 dist 6.23493 9.86313 5.86939 5.71071 7.46303 7.51198 10.2463 7.66392 6.34186 6.43582 numMergedOcc 0
129 mol 155 unq 1 iso 1 dist 6.43582 7.51198 6.34186 5.71071 10.2463 9.86313 7.46303 7.66392 5.86939 6.23493 numMergedOcc 0
130 mol 175 unq 0 iso 0 dist 9.0018 9.8589 8.22779 7.42466 7.652 7.24908 5.6234 6.2715 10.5631 9.92231 numMergedOcc 0
131 mol 175 unq 0 iso 1 dist 9.92231 7.24908 10.5631 7.42466 5.6234 9.8589 7.652 6.2715 8.22779 9.0018 numMergedOcc 0
132 mol 175 unq 1 iso 0 dist 7.652 7.24908 8.22779 7.42466 9.0018 9.8589 9.92231 6.2715 10.5631 5.6234 numMergedOcc 0
133 mol 175 unq 1 iso 1 dist 5.6234 9.8589 10.5631 7.42466 9.92231 7.24908 9.0018 6.2715 8.22779 7.652 numMergedOcc 0
134 mol 175 unq 2 iso 0 dist 7.652 7.24908 8.22779 7.42466 9.0018 9.8589 10.2623 8.16421 7.5414 6.57069 numMergedOcc 0
135 mol 175 unq 2 iso 1 dist 6.57069 9.8589 7.5414 7.42466 10.2623 7.24908 9.0018 8.16421 8.22779 7.652 numMergedOcc 0
136 mol 175 unq 1 iso 0 dist 9.92231 7.24908 10.5631 7.42466 5.6234 9.8589 10.2623 5.35493 7.5414 6.57069 numMergedOcc 0
137 mol 175 unq 1 iso 1 dist 6.57069 9.8589 7.5414 7.42466 10.2623 7.24908 5.6234 5.35493 10.5631 9.92231 numMergedOcc 0
138 mol 224 unq 0 iso 0 dist 8.95269 6.67585 5.29877 4.70378 6.57273 6.65984 9.99123 5.0744 6.12232 6.60589 numMergedOcc 0
139 mol 224 unq 0 iso 1 dist 6.60589 6.65984 6.12232 4.70378 9.99123 6.67585 6.57273 5.0744 5.29877 8.95269 numMergedOcc 0
140 mol 227 unq 0 iso 0 dist 8.65997 6.95902 6.43754 5.22356 7.22101 8.17891 10.8157 4.39704 9.13836 7.09863 numMergedOcc 0
141 mol 227 unq 0 iso 1 dist 7.09863 8.17891 9.13836 5.22356 10.8157 6.95902 7.22101 4.39704 6.43754 8.65997 numMergedOcc 0
142 mol 234 unq 0 iso 0 dist 8.34494 6.25105 10.3337 5.88703 12.9605 7.85175 6.56247 6.29886 11.216 9.45496 numMergedOcc 0
143 mol 234 unq 0 iso 1 dist 9.45496 7.85175 11.216 5.88703 6.56247 6.25105 12.9605 6.29886 10.3337 8.34494 numMergedOcc 0
144 mol 234 unq 1 iso 0 dist 8.34494 6.25105 10.3337 5.88703 12.9605 7.85175 9.36357 12.1694 11.4315 6.7625 numMergedOcc 0
145 mol 234 unq 1 iso 1 dist 6.7625 7.85175 11.4315 5.88703 9.36357 6.25105 12.9605 12.1694 10.3337 8.34494 numMergedOcc 0
146 mol 234 unq 2 iso 0 dist 6.56247 6.25105 11.216 5.88703 9.45496 7.85175 9.36357 7.82322 11.4315 6.7625 numMergedOcc 0
147 mol 234 unq 2 iso 1 dist 6.7625 7.85175 11.4315 5.88703 9.36357 6.25105 9.45496 7.82322 11.216 6.56247 numMergedOcc 0
148 mol 234 unq 3 iso 0 dist 9.36357 6.25105 11.4315 5.88703 6.7625 7.85175 6.56247 7.82322 11.216 9.45496 numMergedOcc 0
149 mol 234 unq 3 iso 1 dist 9.45496 7.85175 11.216 5.88703 6.56247 6.25105 6.7625 7.82322 11.4315 9.36357 numMergedOcc 0
150 mol 236 unq 0 iso 0 dist 8.03456 7.17676 11.8759 7.28249 9.81562 5.34718 6.84306 5.79505 11.3552 7.68742 numMergedOcc 0
151 mol 236 unq 0 iso 1 dist 7.68742 5.34718 11.3552 7.28249 6.84306 7.17676 9.81562 5.79505 11.8759 8.03456 numMergedOcc 0
152 mol 236 unq 1 iso 0 dist 8.03456 7.17676 11.8759 7.28249 9.81562 5.34718 9.99038 9.90963 6.04825 6.27581 numMergedOcc 0
153 mol 236 unq 1 iso 1 dist 6.27581 5.34718 6.04825 7.28249 9.99038 7.17676 9.81562 9.90963 11.8759 8.03456 numMergedOcc 0
154 mol 236 unq 2 iso 0 dist 6.84306 7.17676 11.3552 7.28249 7.68742 5.34718 8.03456 5.79505 11.8759 9.81562 numMergedOcc 0
155 mol 236 unq 2 iso 1 dist 9.81562 5.34718 11.8759 7.28249 8.03456 7.17676 7.68742 5.79505 11.3552 6.84306 numMergedOcc 0
156 mol 236 unq 3 iso 0 dist 6.84306 7.17676 11.3552 7.28249 7.68742 5.34718 9.99038 11.3368 6.04825 6.27581 numMergedOcc 0
157 mol 236 unq 3 iso 1 dist 6.27581 5.34718 6.04825 7.28249 9.99038 7.17676 7.68742 11.3368 11.3552 6.84306 numMergedOcc 0
158 mol 236 unq 4 iso 0 dist 9.99038 7.17676 6.04825 7.28249 6.27581 5.34718 8.03456 9.90963 11.8759 9.81562 numMergedOcc 0
159 mol 236 unq 4 iso 1 dist 9.81562 5.34718 11.8759 7.28249 8.03456 7.17676 6.27581 9.90963 6.04825 9.99038 numMergedOcc 0
160 mol 236 unq 5 iso 0 dist 9.99038 7.17676 6.04825 7.28249 6.27581 5.34718 6.84306 11.3368 11.3552 7.68742 numMergedOcc 0
161 mol 236 unq 5 iso 1 dist 7.68742 5.34718 11.3552 7.28249 6.84306 7.17676 6.27581 11.3368 6.04825 9.99038 numMergedOcc 0
162 mol 236 unq 6 iso 0 dist 9.78037 7.17676 12.6468 7.28249 13.499 5.34718 8.03456 6.96005 11.8759 9.81562 numMergedOcc 0
163 mol 236 unq 6 iso 1 dist 9.81562 5.34718 11.8759 7.28249 8.03456 7.17676 13.499 6.96005 12.6468 9.78037 numMergedOcc 0
164 mol 236 unq 7 iso 0 dist 9.78037 7.17676 12.6468 7.28249 13.499 5.34718 6.84306 11.8739 11.3552 7.68742 numMergedOcc 0
165 mol 236 unq 7 iso 1 dist 7.68742 5.34718 11.3552 7.28249 6.84306 7.17676 13.499 11.8739 12.6468 9.78037 numMergedOcc 0
166 mol 236 unq 8 iso 0 dist 9.78037 7.17676 12.6468 7.28249 13.499 5.34718 9.99038 11.1557 6.04825 6.27581 numMergedOcc 0
167 mol 236 unq 8 iso 1 dist 6.27581 5.34718 6.04825 7.28249 9.99038 7.17676 13.499 11.1557 12.6468 9.78037 numMergedOcc 0
168 mol 236 unq 9 iso 0 dist 8.35971 7.17676 6.40312 7.28249 11.2141 5.34718 8.03456 14.2337 11.8759 9.81562 numMergedOcc 0
169 mol 236 unq 9 iso 1 dist 9.81562 5.34718 11.8759 7.28249 8.03456 7.17676 11.2141 14.2337 6.40312 8.35971 numMergedOcc 0
170 mol 236 unq 10 iso 0 dist 8.35971 7.17676 6.40312 7.28249 11.2141 5.34718 6.84306 14.7998 11.3552 7.68742 numMergedOcc 0
171 mol 236 unq 10 iso 1 dist 7.68742 5.34718 11.3552 7.28249 6.84306 7.17676 11.2141 14.7998 6.40312 8.35971 numMergedOcc 0
172 mol 236 unq 11 iso 0 dist 8.35971 7.17676 6.40312 7.28249 11.2141 5.34718 9.99038 10.7497 6.04825 6.27581 numMergedOcc 0
173 mol 236 unq 11 iso 1 dist 6.27581 5.34718 6.04825 7.28249 9.99038 7.17676 11.2141 10.7497 6.40312 8.35971 numMergedOcc 0
174 mol 238 unq 0 iso 0 dist 6.57393 5.38637 6.20606 5.42006 11.101 6.55759 10.0756 14.0328 10.4664 7.31233 numMergedOcc 0
175 mol 238 unq 0 iso 1 dist 7.31233 6.55759 10.4664 5.42006 10.0756 5.38637 11.101 14.0328 6.20606 6.57393 numMergedOcc 0
176 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 12.5353 15.9169 8.37865 12.0576 15.8535 5.31048 5.30224 numMergedOcc 0
177 mol 259 unq 0 iso 1 dist 5.30224 8.37865 5.31048 12.5353 12.0576 7.48005 15.9169 15.8535 11.6195 7.88519 numMergedOcc 0
178 mol 259 unq 1 iso 0 dist 7.84554 7.48005 11.8736 12.5353 18.2309 8.37865 12.0576 16.9228 5.31048 5.30224 numMergedOcc 0
179 mol 259 unq 1 iso 1 dist 5.30224 8.37865 5.31048 12.5353 12.0576 7.48005 18.2309 16.9228 11.8736 7.84554 numMergedOcc 0
180 mol 259 unq 2 iso 0 dist 7.46176 7.48005 5.79468 12.5353 11.858 8.37865 12.0576 9.98105 5.31048 5.30224 numMergedOcc 0
181 mol 259 unq 2 iso 1 dist 5.30224 8.37865 5.31048 12.5353 12.0576 7.48005 11.858 9.98105 5.79468 7.46176 numMergedOcc 0
182 mol 259 unq 3 iso 0 dist 5.30224 8.37865 5.31048 12.5353 12.0576 7.48005 20.3294 17.9439 12.6649 9.18903 numMergedOcc 0
183 mol 259 unq 3 iso 1 dist 9.18903 7.48005 12.6649 12.5353 20.3294 8.37865 12.0576 17.9439 5.31048 5.30224 numMergedOcc 0
184 mol 272 unq 0 iso 0 dist 9.97651 9.09992 10.841 5.40809 13.2494 6.73206 8.46116 8.12676 5.63139 8.33638 numMergedOcc 0
185 mol 272 unq 0 iso 1 dist 8.33638 6.73206 5.63139 5.40809 8.46116 9.09992 13.2494 8.12676 10.841 9.97651 numMergedOcc 0
