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 15 unq 0 iso 1 dist 6.82505 9.97507 5.17568 7.12903 5.51916 5.90976 9.03536 10.4158 8.38064 8.21493 numMergedOcc 0
2 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
3 mol 16 unq 0 iso 1 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 6.92781 12.5273 5.05803 7.03948 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 5.32694 10.9143 5.46498 6.58035 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 5.32694 5.46498 10.9143 6.58035 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 8.23643 11.0832 6.55187 5.03957 12.1187 7.82074 8.73972 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 5.03957 7.82074 12.1187 8.73972 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 10.8007 15.679 9.78944 6.00439 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 10.8007 9.78944 15.679 6.00439 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 7.20519 4.54938 7.34551 7.82528 10.4988 5.14627 7.67038 10.4091 8.4674 6.20943 numMergedOcc 0
11 mol 19 unq 2 iso 1 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 7.67038 8.4674 10.4091 6.20943 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 8.23643 11.0832 12.3093 5.03957 12.1187 11.0366 8.73972 numMergedOcc 0
13 mol 19 unq 3 iso 1 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 5.03957 11.0366 12.1187 8.73972 numMergedOcc 0
14 mol 19 unq 4 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 10.8007 15.679 9.56313 6.00439 numMergedOcc 0
15 mol 19 unq 4 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 10.8007 9.56313 15.679 6.00439 numMergedOcc 0
16 mol 19 unq 5 iso 0 dist 7.20519 6.864 7.07775 7.82528 10.4988 4.69858 7.67038 10.4091 4.51865 6.20943 numMergedOcc 0
17 mol 19 unq 5 iso 1 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 7.67038 4.51865 10.4091 6.20943 numMergedOcc 0
18 mol 19 unq 6 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 7.83352 9.78944 9.56313 6.00439 numMergedOcc 0
19 mol 19 unq 6 iso 1 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.83352 9.56313 9.78944 6.00439 numMergedOcc 0
20 mol 19 unq 7 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
21 mol 19 unq 7 iso 1 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.67038 6.864 4.54938 7.82528 numMergedOcc 0
22 mol 19 unq 3 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
23 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 5.03957 11.0366 7.82074 8.73972 numMergedOcc 0
24 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 10.8007 9.78944 9.56313 6.00439 numMergedOcc 0
25 mol 19 unq 4 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 10.8007 9.56313 9.78944 6.00439 numMergedOcc 0
26 mol 19 unq 5 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
27 mol 19 unq 5 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 7.67038 4.51865 8.4674 6.20943 numMergedOcc 0
28 mol 19 unq 8 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 7.07775 10.4091 7.20519 9.80108 numMergedOcc 0
29 mol 19 unq 8 iso 1 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 7.07775 7.20519 10.4091 9.80108 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 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 5.24762 11.2563 6.43774 7.06308 numMergedOcc 0
32 mol 45 unq 1 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 5.101 10.8302 11.5838 9.43442 numMergedOcc 0
33 mol 45 unq 1 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 5.101 11.5838 10.8302 9.43442 numMergedOcc 0
34 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 8.26899 5.98837 4.55117 7.08557 12.0187 10.1508 9.33535 numMergedOcc 0
35 mol 58 unq 0 iso 1 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 7.08557 10.1508 12.0187 9.33535 numMergedOcc 0
36 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 8.26899 5.98837 10.3782 7.08557 12.0187 12.7357 9.33535 numMergedOcc 0
37 mol 58 unq 1 iso 1 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 7.08557 12.7357 12.0187 9.33535 numMergedOcc 0
38 mol 58 unq 1 iso 0 dist 7.32874 9.55426 5.90225 8.26899 4.55117 10.3782 7.08557 10.1508 12.7357 9.33535 numMergedOcc 0
39 mol 58 unq 1 iso 1 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 7.08557 12.7357 10.1508 9.33535 numMergedOcc 0
40 mol 58 unq 2 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 14.5953 13.497 20.7459 8.63333 numMergedOcc 0
41 mol 58 unq 2 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 14.5953 20.7459 13.497 8.63333 numMergedOcc 0
42 mol 58 unq 3 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 14.176 12.1902 20.984 8.89374 numMergedOcc 0
43 mol 58 unq 3 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 14.176 20.984 12.1902 8.89374 numMergedOcc 0
44 mol 58 unq 4 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
45 mol 58 unq 4 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 6.47414 13.4544 6.64012 6.46761 numMergedOcc 0
46 mol 58 unq 5 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 5.90225 11.396 7.32874 6.40841 numMergedOcc 0
47 mol 58 unq 5 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.90225 7.32874 11.396 6.40841 numMergedOcc 0
48 mol 58 unq 6 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
49 mol 58 unq 6 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 6.47414 13.4544 6.64012 7.58407 numMergedOcc 0
50 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 6.77912 12.0644 7.11552 5.36766 12.8385 10.8086 8.624 numMergedOcc 0
51 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 5.36766 10.8086 12.8385 8.624 numMergedOcc 0
52 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 7.4697 8.9232 11.4799 5.64598 numMergedOcc 0
53 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 7.4697 11.4799 8.9232 5.64598 numMergedOcc 0
54 mol 73 unq 1 iso 0 dist 9.38498 9.96396 15.7123 8.70133 13.4082 7.41074 5.4148 10.2049 6.19304 4.65521 numMergedOcc 0
55 mol 73 unq 1 iso 1 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.4148 6.19304 10.2049 4.65521 numMergedOcc 0
56 mol 73 unq 2 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 7.4697 8.9232 16.0453 5.64598 numMergedOcc 0
57 mol 73 unq 2 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 7.4697 16.0453 8.9232 5.64598 numMergedOcc 0
58 mol 73 unq 3 iso 0 dist 9.38498 9.75218 13.7412 8.70133 13.4082 15.9882 5.4148 10.2049 11.6369 4.65521 numMergedOcc 0
59 mol 73 unq 3 iso 1 dist 9.75218 9.38498 13.7412 8.70133 15.9882 13.4082 5.4148 11.6369 10.2049 4.65521 numMergedOcc 0
60 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 7.4697 11.4799 16.0453 5.64598 numMergedOcc 0
61 mol 73 unq 2 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 7.4697 16.0453 11.4799 5.64598 numMergedOcc 0
62 mol 73 unq 3 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
63 mol 73 unq 3 iso 1 dist 9.75218 9.96396 12.016 8.70133 15.9882 7.41074 5.4148 11.6369 6.19304 4.65521 numMergedOcc 0
64 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 5.15851 10.0425 11.8774 9.02771 11.673 15.657 6.33365 numMergedOcc 0
65 mol 75 unq 0 iso 1 dist 8.56639 7.79912 5.64643 5.15851 11.8774 10.0425 9.02771 15.657 11.673 6.33365 numMergedOcc 0
66 mol 75 unq 1 iso 0 dist 7.79912 8.59017 10.4899 5.15851 10.0425 10.0372 9.02771 11.673 15.872 6.33365 numMergedOcc 0
67 mol 75 unq 1 iso 1 dist 8.59017 7.79912 10.4899 5.15851 10.0372 10.0425 9.02771 15.872 11.673 6.33365 numMergedOcc 0
68 mol 75 unq 1 iso 0 dist 8.56639 8.59017 7.00674 5.15851 11.8774 10.0372 9.02771 15.657 15.872 6.33365 numMergedOcc 0
69 mol 75 unq 1 iso 1 dist 8.59017 8.56639 7.00674 5.15851 10.0372 11.8774 9.02771 15.872 15.657 6.33365 numMergedOcc 0
70 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
71 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 6.9948 7.66905 7.47541 7.22293 numMergedOcc 0
72 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
73 mol 85 unq 1 iso 1 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 6.9948 6.19965 7.97049 9.47876 numMergedOcc 0
74 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
75 mol 85 unq 2 iso 1 dist 5.73196 7.47541 6.87425 7.22293 6.47779 7.98917 6.9948 11.2656 7.97049 9.47876 numMergedOcc 0
76 mol 85 unq 2 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
77 mol 85 unq 2 iso 1 dist 5.73196 7.66905 10.1164 7.22293 6.47779 11.6116 6.9948 11.2656 6.19965 9.47876 numMergedOcc 0
78 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
79 mol 100 unq 0 iso 1 dist 7.17106 9.60661 11.5403 6.58204 5.01145 10.9608 5.88134 10.5134 6.65086 7.75343 numMergedOcc 0
80 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
81 mol 100 unq 1 iso 1 dist 9.35224 9.60661 7.80879 6.58204 5.69137 10.9608 5.88134 6.56369 6.65086 7.75343 numMergedOcc 0
82 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 6.58204 5.01145 5.69137 5.88134 10.5134 6.56369 7.75343 numMergedOcc 0
83 mol 100 unq 1 iso 1 dist 9.35224 7.17106 8.87654 6.58204 5.69137 5.01145 5.88134 6.56369 10.5134 7.75343 numMergedOcc 0
84 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 5.88134 12.0662 9.60661 6.58204 numMergedOcc 0
85 mol 100 unq 2 iso 1 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 5.88134 9.60661 12.0662 6.58204 numMergedOcc 0
86 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 5.88134 12.0662 9.35224 6.58204 numMergedOcc 0
87 mol 100 unq 3 iso 1 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 5.88134 9.35224 12.0662 6.58204 numMergedOcc 0
88 mol 100 unq 4 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 5.88134 12.0662 10.5853 6.58204 numMergedOcc 0
89 mol 100 unq 4 iso 1 dist 9.30209 7.47343 13.887 7.75343 9.21622 15.209 5.88134 10.5853 12.0662 6.58204 numMergedOcc 0
90 mol 100 unq 3 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
91 mol 100 unq 3 iso 1 dist 6.56369 6.65086 7.80879 7.75343 5.69137 10.9608 5.88134 9.35224 9.60661 6.58204 numMergedOcc 0
92 mol 100 unq 4 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
93 mol 100 unq 4 iso 1 dist 9.30209 6.65086 5.38414 7.75343 9.21622 10.9608 5.88134 10.5853 9.60661 6.58204 numMergedOcc 0
94 mol 100 unq 4 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
95 mol 100 unq 4 iso 1 dist 9.30209 6.56369 6.39938 7.75343 9.21622 5.69137 5.88134 10.5853 9.35224 6.58204 numMergedOcc 0
96 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 8.66155 11.3902 6.09023 7.69052 13.8473 9.33865 9.66954 numMergedOcc 0
97 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 8.66155 6.09023 11.3902 7.69052 9.33865 13.8473 9.66954 numMergedOcc 0
98 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 8.66155 11.3902 4.61908 7.69052 13.8473 6.11741 9.66954 numMergedOcc 0
99 mol 115 unq 1 iso 1 dist 7.88312 7.30858 11.5723 8.66155 4.61908 11.3902 7.69052 6.11741 13.8473 9.66954 numMergedOcc 0
100 mol 115 unq 2 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
101 mol 115 unq 2 iso 1 dist 6.11741 9.33865 8.02349 9.66954 4.61908 6.09023 7.69052 7.88312 5.83991 8.66155 numMergedOcc 0
102 mol 115 unq 1 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
103 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 8.66155 4.61908 6.09023 7.69052 6.11741 9.33865 9.66954 numMergedOcc 0
104 mol 117 unq 0 iso 0 dist 9.84395 7.90328 13.1058 6.62561 11.3679 4.91401 7.22206 16.5575 7.83136 7.63616 numMergedOcc 0
105 mol 117 unq 0 iso 1 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 7.22206 7.83136 16.5575 7.63616 numMergedOcc 0
106 mol 127 unq 0 iso 0 dist 8.14887 9.30299 7.30196 8.59981 14.9761 14.085 11.279 19.0925 17.6472 6.192 numMergedOcc 0
107 mol 127 unq 0 iso 1 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 11.279 17.6472 19.0925 6.192 numMergedOcc 0
108 mol 127 unq 1 iso 0 dist 8.14887 9.30299 7.30196 8.59981 14.9761 14.085 11.4958 18.4772 15.0647 7.69308 numMergedOcc 0
109 mol 127 unq 1 iso 1 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 11.4958 15.0647 18.4772 7.69308 numMergedOcc 0
110 mol 127 unq 2 iso 0 dist 8.14887 9.30299 7.30196 8.59981 14.9761 14.085 5.55757 12.8743 14.7391 7.66331 numMergedOcc 0
111 mol 127 unq 2 iso 1 dist 9.30299 8.14887 7.30196 8.59981 14.085 14.9761 5.55757 14.7391 12.8743 7.66331 numMergedOcc 0
112 mol 127 unq 3 iso 0 dist 8.14887 9.30299 7.30196 7.34519 7.41404 13.1312 5.55757 12.8743 14.7391 8.58999 numMergedOcc 0
113 mol 127 unq 3 iso 1 dist 9.30299 8.14887 7.30196 7.34519 13.1312 7.41404 5.55757 14.7391 12.8743 8.58999 numMergedOcc 0
114 mol 127 unq 4 iso 0 dist 8.14887 9.30299 7.30196 7.34519 7.41404 13.1312 6.16471 11.3474 14.9565 6.63981 numMergedOcc 0
115 mol 127 unq 4 iso 1 dist 9.30299 8.14887 7.30196 7.34519 13.1312 7.41404 6.16471 14.9565 11.3474 6.63981 numMergedOcc 0
116 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 8.80819 11.9139 8.94367 8.79571 numMergedOcc 0
117 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 numMergedOcc 0
118 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.00817 9.5126 6.37586 5.42582 numMergedOcc 0
119 mol 134 unq 1 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 numMergedOcc 0
120 mol 134 unq 2 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
121 mol 134 unq 2 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 numMergedOcc 0
122 mol 134 unq 3 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
123 mol 134 unq 3 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 8.80819 12.5075 6.49416 8.6355 numMergedOcc 0
124 mol 134 unq 4 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
125 mol 134 unq 4 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 numMergedOcc 0
126 mol 134 unq 5 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
127 mol 134 unq 5 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.00817 12.5075 6.49416 8.6355 numMergedOcc 0
128 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
129 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 5.32922 7.26382 5.31024 9.07935 numMergedOcc 0
130 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
131 mol 142 unq 1 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 5.32922 11.0824 5.31024 9.07935 numMergedOcc 0
132 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
133 mol 142 unq 2 iso 1 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 5.32922 7.73169 9.2313 7.15475 numMergedOcc 0
134 mol 142 unq 1 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
135 mol 142 unq 1 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 5.32922 11.0824 7.26382 9.07935 numMergedOcc 0
136 mol 155 unq 0 iso 0 dist 6.23493 7.46303 5.71071 9.17284 4.9093 6.3437 10.6882 12.1555 12.3052 9.87281 numMergedOcc 0
137 mol 155 unq 0 iso 1 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 10.6882 12.3052 12.1555 9.87281 numMergedOcc 0
138 mol 155 unq 1 iso 0 dist 6.23493 7.46303 5.71071 9.17284 4.9093 6.3437 12.1545 11.6934 13.4817 8.87452 numMergedOcc 0
139 mol 155 unq 1 iso 1 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 12.1545 13.4817 11.6934 8.87452 numMergedOcc 0
140 mol 155 unq 2 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
141 mol 155 unq 2 iso 1 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 5.71071 10.2463 6.23493 7.16254 numMergedOcc 0
142 mol 155 unq 3 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
143 mol 155 unq 3 iso 1 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 5.71071 10.2463 6.23493 9.86313 numMergedOcc 0
144 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
145 mol 175 unq 0 iso 1 dist 5.6234 9.0018 6.2715 9.8589 10.5631 8.22779 7.42466 9.92231 7.652 7.24908 numMergedOcc 0
146 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
147 mol 175 unq 1 iso 1 dist 6.57069 9.0018 8.16421 9.8589 7.5414 8.22779 7.42466 10.2623 7.652 7.24908 numMergedOcc 0
148 mol 175 unq 2 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
149 mol 175 unq 2 iso 1 dist 9.92231 7.652 6.2715 7.24908 10.5631 8.22779 7.42466 5.6234 9.0018 9.8589 numMergedOcc 0
150 mol 175 unq 1 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
151 mol 175 unq 1 iso 1 dist 6.57069 5.6234 5.35493 9.8589 7.5414 10.5631 7.42466 10.2623 9.92231 7.24908 numMergedOcc 0
152 mol 224 unq 0 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
153 mol 224 unq 0 iso 1 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 4.70378 9.99123 8.95269 6.67585 numMergedOcc 0
154 mol 227 unq 0 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
155 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 5.22356 10.8157 8.65997 6.95902 numMergedOcc 0
156 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 6.25105 10.3337 11.216 5.88703 12.9605 9.45496 7.85175 numMergedOcc 0
157 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 5.88703 9.45496 12.9605 7.85175 numMergedOcc 0
158 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 6.25105 10.3337 11.4315 5.88703 12.9605 6.7625 7.85175 numMergedOcc 0
159 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 5.88703 6.7625 12.9605 7.85175 numMergedOcc 0
160 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
161 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 5.88703 6.7625 9.45496 7.85175 numMergedOcc 0
162 mol 234 unq 2 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
163 mol 234 unq 2 iso 1 dist 6.7625 9.45496 7.82322 7.85175 11.4315 11.216 5.88703 9.36357 6.56247 6.25105 numMergedOcc 0
164 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
165 mol 236 unq 0 iso 1 dist 6.84306 8.03456 5.79505 7.17676 11.3552 11.8759 7.28249 7.68742 9.81562 5.34718 numMergedOcc 0
166 mol 236 unq 1 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
167 mol 236 unq 1 iso 1 dist 9.99038 8.03456 9.90963 7.17676 6.04825 11.8759 7.28249 6.27581 9.81562 5.34718 numMergedOcc 0
168 mol 236 unq 2 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
169 mol 236 unq 2 iso 1 dist 9.78037 8.03456 6.96005 7.17676 12.6468 11.8759 7.28249 13.499 9.81562 5.34718 numMergedOcc 0
170 mol 236 unq 3 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
171 mol 236 unq 3 iso 1 dist 8.35971 8.03456 14.2337 7.17676 6.40312 11.8759 7.28249 11.2141 9.81562 5.34718 numMergedOcc 0
172 mol 236 unq 1 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
173 mol 236 unq 1 iso 1 dist 9.99038 6.84306 11.3368 7.17676 6.04825 11.3552 7.28249 6.27581 7.68742 5.34718 numMergedOcc 0
174 mol 236 unq 2 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
175 mol 236 unq 2 iso 1 dist 9.78037 6.84306 11.8739 7.17676 12.6468 11.3552 7.28249 13.499 7.68742 5.34718 numMergedOcc 0
176 mol 236 unq 3 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
177 mol 236 unq 3 iso 1 dist 8.35971 6.84306 14.7998 7.17676 6.40312 11.3552 7.28249 11.2141 7.68742 5.34718 numMergedOcc 0
178 mol 236 unq 2 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
179 mol 236 unq 2 iso 1 dist 9.78037 9.99038 11.1557 7.17676 12.6468 6.04825 7.28249 13.499 6.27581 5.34718 numMergedOcc 0
180 mol 236 unq 3 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
181 mol 236 unq 3 iso 1 dist 8.35971 9.99038 10.7497 7.17676 6.40312 6.04825 7.28249 11.2141 6.27581 5.34718 numMergedOcc 0
182 mol 236 unq 3 iso 0 dist 9.78037 8.35971 12.0369 7.17676 12.6468 6.40312 7.28249 13.499 11.2141 5.34718 numMergedOcc 0
183 mol 236 unq 3 iso 1 dist 8.35971 9.78037 12.0369 7.17676 6.40312 12.6468 7.28249 11.2141 13.499 5.34718 numMergedOcc 0
184 mol 236 unq 4 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
185 mol 236 unq 4 iso 1 dist 7.68742 9.81562 5.79505 5.34718 11.3552 11.8759 7.28249 6.84306 8.03456 7.17676 numMergedOcc 0
186 mol 236 unq 5 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
187 mol 236 unq 5 iso 1 dist 6.27581 9.81562 9.90963 5.34718 6.04825 11.8759 7.28249 9.99038 8.03456 7.17676 numMergedOcc 0
188 mol 236 unq 5 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
189 mol 236 unq 5 iso 1 dist 6.27581 7.68742 11.3368 5.34718 6.04825 11.3552 7.28249 9.99038 6.84306 7.17676 numMergedOcc 0
190 mol 249 unq 0 iso 0 dist 7.57994 6.18582 5.01979 8.83735 5.23473 7.38675 8.34718 11.7594 12.2913 8.96876 numMergedOcc 0
191 mol 249 unq 0 iso 1 dist 6.18582 7.57994 5.01979 8.83735 7.38675 5.23473 8.34718 12.2913 11.7594 8.96876 numMergedOcc 0
192 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 12.5353 15.9169 18.2309 8.37865 numMergedOcc 0
193 mol 259 unq 0 iso 1 dist 7.84554 7.88519 4.86771 7.48005 11.8736 11.6195 12.5353 18.2309 15.9169 8.37865 numMergedOcc 0
194 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 12.5353 15.9169 11.858 8.37865 numMergedOcc 0
195 mol 259 unq 1 iso 1 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 12.5353 11.858 15.9169 8.37865 numMergedOcc 0
196 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 12.5353 15.9169 20.3294 8.37865 numMergedOcc 0
197 mol 259 unq 2 iso 1 dist 9.18903 7.88519 10.4881 7.48005 12.6649 11.6195 12.5353 20.3294 15.9169 8.37865 numMergedOcc 0
198 mol 259 unq 1 iso 0 dist 7.84554 7.46176 7.64658 7.48005 11.8736 5.79468 12.5353 18.2309 11.858 8.37865 numMergedOcc 0
199 mol 259 unq 1 iso 1 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 12.5353 11.858 18.2309 8.37865 numMergedOcc 0
200 mol 259 unq 2 iso 0 dist 7.84554 9.18903 5.87173 7.48005 11.8736 12.6649 12.5353 18.2309 20.3294 8.37865 numMergedOcc 0
201 mol 259 unq 2 iso 1 dist 9.18903 7.84554 5.87173 7.48005 12.6649 11.8736 12.5353 20.3294 18.2309 8.37865 numMergedOcc 0
202 mol 259 unq 2 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 12.5353 11.858 20.3294 8.37865 numMergedOcc 0
203 mol 259 unq 2 iso 1 dist 9.18903 7.46176 10.5239 7.48005 12.6649 5.79468 12.5353 20.3294 11.858 8.37865 numMergedOcc 0
204 mol 272 unq 0 iso 0 dist 9.97651 8.46116 8.12676 9.09992 10.841 5.63139 5.40809 13.2494 8.33638 6.73206 numMergedOcc 0
205 mol 272 unq 0 iso 1 dist 8.46116 9.97651 8.12676 9.09992 5.63139 10.841 5.40809 8.33638 13.2494 6.73206 numMergedOcc 0
206 mol 276 unq 0 iso 0 dist 9.8993 6.87396 6.88557 8.76347 7.54851 6.4102 8.88126 10.1216 12.3012 9.38971 numMergedOcc 0
207 mol 276 unq 0 iso 1 dist 6.87396 9.8993 6.88557 8.76347 6.4102 7.54851 8.88126 12.3012 10.1216 9.38971 numMergedOcc 0
208 mol 276 unq 1 iso 0 dist 9.8993 6.87396 6.88557 8.76347 7.54851 6.4102 5.50479 13.1345 10.1395 8.71541 numMergedOcc 0
209 mol 276 unq 1 iso 1 dist 6.87396 9.8993 6.88557 8.76347 6.4102 7.54851 5.50479 10.1395 13.1345 8.71541 numMergedOcc 0
