0 mol 1 unq 0 iso 0 dist 9.72202 5.42625 9.00903 9.39338 8.56884 9.01967 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 10.3757 7.03948 6.2983 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 10.26 6.20943 5.14627 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.41045 7.64353 4.51865 10.26 6.20943 4.69858 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 9.97498 9.75144 5.39241 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.80897 12.8257 8.34347 11.1917 6.73162 7.23546 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 8.37225 8.70636 8.34347 6.0365 6.73162 7.23546 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 10.1053 9.83618 10.4442 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 10.1053 9.83618 9.49077 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 9.25208 8.24062 5.3525 numMergedOcc 0
10 mol 59 unq 1 iso 0 dist 9.83775 5.82428 8.84665 9.25208 8.24062 11.0387 numMergedOcc 0
11 mol 59 unq 2 iso 0 dist 9.83775 10.1226 8.25513 9.25208 8.24062 9.15805 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 8.44473 11.2947 6.65721 10.8911 8.76003 5.83489 numMergedOcc 0
13 mol 61 unq 1 iso 0 dist 8.44473 4.78811 6.72123 10.8911 8.76003 7.39396 numMergedOcc 0
14 mol 64 unq 0 iso 0 dist 8.75668 7.26966 9.67592 4.97497 8.68586 5.3948 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 7.14908 9.02278 11.6894 numMergedOcc 0
16 mol 75 unq 0 iso 0 dist 9.20448 14.2474 7.79912 8.88127 5.15851 10.0425 numMergedOcc 0
17 mol 75 unq 1 iso 0 dist 9.20448 12.103 8.56639 8.88127 5.15851 11.8774 numMergedOcc 0
18 mol 75 unq 2 iso 0 dist 9.20448 5.76778 8.59017 8.88127 5.15851 10.0372 numMergedOcc 0
19 mol 75 unq 3 iso 0 dist 6.96759 13.8905 7.79912 6.78257 5.15851 10.0425 numMergedOcc 0
20 mol 75 unq 4 iso 0 dist 6.96759 12.899 8.56639 6.78257 5.15851 11.8774 numMergedOcc 0
21 mol 75 unq 5 iso 0 dist 6.96759 8.41332 8.59017 6.78257 5.15851 10.0372 numMergedOcc 0
22 mol 75 unq 6 iso 0 dist 6.97318 11.2774 7.79912 4.7798 5.15851 10.0425 numMergedOcc 0
23 mol 75 unq 7 iso 0 dist 6.97318 11.0206 8.56639 4.7798 5.15851 11.8774 numMergedOcc 0
24 mol 75 unq 8 iso 0 dist 6.97318 6.56982 8.59017 4.7798 5.15851 10.0372 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 6.85223 8.36431 10.9701 numMergedOcc 0
26 mol 92 unq 1 iso 0 dist 7.11695 9.54167 9.64443 6.85223 8.36431 12.4284 numMergedOcc 0
27 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 4.71183 6.58204 10.9608 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 7.689 5.71475 7.17106 4.71183 6.58204 5.01145 numMergedOcc 0
29 mol 100 unq 2 iso 0 dist 7.689 10.3954 9.35224 4.71183 6.58204 5.69137 numMergedOcc 0
30 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 10.2716 7.75343 15.209 numMergedOcc 0
31 mol 100 unq 4 iso 0 dist 9.22737 6.60925 6.65086 10.2716 7.75343 10.9608 numMergedOcc 0
32 mol 100 unq 5 iso 0 dist 9.22737 4.95357 6.56369 10.2716 7.75343 5.69137 numMergedOcc 0
33 mol 100 unq 6 iso 0 dist 9.22737 5.05858 9.30209 10.2716 7.75343 9.21622 numMergedOcc 0
34 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 7.32599 5.87358 9.46098 numMergedOcc 0
35 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 10.8105 7.76729 10.7942 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 10.8105 7.76729 10.9739 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 9.47554 5.34829 7.11802 6.61857 7.92688 4.68409 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 9.47554 9.67676 8.00618 6.61857 7.92688 12.2037 numMergedOcc 0
39 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 10.0815 8.6355 10.1448 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 10.0815 8.6355 5.41704 numMergedOcc 0
41 mol 134 unq 2 iso 0 dist 9.16358 10.0911 8.94367 5.0903 8.79571 5.41704 numMergedOcc 0
42 mol 134 unq 3 iso 0 dist 9.16358 9.66197 9.86662 5.0903 8.79571 6.17103 numMergedOcc 0
43 mol 134 unq 4 iso 0 dist 6.48328 10.0911 6.37586 5.0903 5.42582 5.41704 numMergedOcc 0
44 mol 134 unq 5 iso 0 dist 6.48328 9.66197 9.71307 5.0903 5.42582 6.17103 numMergedOcc 0
45 mol 152 unq 0 iso 0 dist 8.41774 13.1435 8.56324 10.8622 9.13561 5.99333 numMergedOcc 0
46 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 10.8622 9.13561 8.25411 numMergedOcc 0
47 mol 152 unq 2 iso 0 dist 8.41774 11.2124 7.16148 10.8622 9.13561 7.89109 numMergedOcc 0
48 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 6.70227 8.96511 10.5783 numMergedOcc 0
49 mol 178 unq 1 iso 0 dist 9.63185 10.2893 6.43573 6.70227 8.96511 5.96647 numMergedOcc 0
50 mol 178 unq 2 iso 0 dist 9.63185 9.7684 7.17202 6.70227 8.96511 12.075 numMergedOcc 0
51 mol 178 unq 3 iso 0 dist 9.63185 5.37264 8.81551 6.70227 8.96511 9.92132 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 5.20775 4.93785 6.7991 numMergedOcc 0
53 mol 182 unq 0 iso 0 dist 9.06702 13.1207 9.31746 10.9586 6.73313 11.1088 numMergedOcc 0
54 mol 204 unq 0 iso 0 dist 9.44947 10.5243 7.10633 12.7783 5.90931 5.09262 numMergedOcc 0
55 mol 204 unq 1 iso 0 dist 9.44947 10.2677 8.51516 12.7783 5.90931 12.9483 numMergedOcc 0
56 mol 205 unq 0 iso 0 dist 8.52924 7.17157 6.03031 15.3503 9.19704 8.66809 numMergedOcc 0
57 mol 205 unq 1 iso 0 dist 8.52924 11.993 7.26832 15.3503 9.19704 6.23291 numMergedOcc 0
58 mol 205 unq 2 iso 0 dist 8.52924 9.67882 7.80463 15.3503 9.19704 13.231 numMergedOcc 0
59 mol 209 unq 0 iso 0 dist 9.62543 8.42394 7.56373 12.5973 9.52027 6.43758 numMergedOcc 0
60 mol 214 unq 0 iso 0 dist 9.92165 10.1227 9.65138 4.40728 6.97182 6.16485 numMergedOcc 0
61 mol 214 unq 1 iso 0 dist 9.92165 10.1227 9.65138 5.75872 6.1175 11.5712 numMergedOcc 0
62 mol 214 unq 2 iso 0 dist 9.92165 6.83063 7.14453 4.40728 6.97182 5.33565 numMergedOcc 0
63 mol 214 unq 3 iso 0 dist 9.92165 6.83063 7.14453 5.75872 6.1175 5.06792 numMergedOcc 0
64 mol 214 unq 4 iso 0 dist 9.92165 12.7439 8.85478 4.40728 6.97182 8.47007 numMergedOcc 0
65 mol 214 unq 5 iso 0 dist 9.92165 12.7439 8.85478 5.75872 6.1175 12.8334 numMergedOcc 0
66 mol 220 unq 0 iso 0 dist 5.39218 13.3213 9.23153 9.46015 6.84247 6.7067 numMergedOcc 0
67 mol 220 unq 1 iso 0 dist 5.39218 13.3213 9.23153 4.51612 6.99002 15.9568 numMergedOcc 0
68 mol 220 unq 2 iso 0 dist 5.39218 11.4842 8.24498 9.46015 6.84247 6.05129 numMergedOcc 0
69 mol 220 unq 3 iso 0 dist 5.39218 11.4842 8.24498 4.51612 6.99002 11.1321 numMergedOcc 0
70 mol 224 unq 0 iso 0 dist 7.49783 12.8561 8.95269 4.76056 7.06793 9.36098 numMergedOcc 0
71 mol 224 unq 1 iso 0 dist 7.49783 12.8561 8.95269 10.7068 6.67585 5.29877 numMergedOcc 0
72 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 6.92493 8.17891 6.43754 numMergedOcc 0
73 mol 227 unq 1 iso 0 dist 8.27093 10.9533 7.09863 6.92493 8.17891 9.13836 numMergedOcc 0
74 mol 227 unq 2 iso 0 dist 9.02226 10.9396 8.65997 9.72888 9.62609 14.6185 numMergedOcc 0
75 mol 227 unq 3 iso 0 dist 9.02226 10.9396 8.65997 6.92493 6.95902 6.43754 numMergedOcc 0
76 mol 227 unq 4 iso 0 dist 9.78611 9.775 7.55216 6.3793 8.83563 11.662 numMergedOcc 0
77 mol 234 unq 0 iso 0 dist 5.46736 4.82695 8.34494 10.024 6.25105 10.3337 numMergedOcc 0
78 mol 234 unq 1 iso 0 dist 5.46736 4.93623 6.56247 10.024 6.25105 11.216 numMergedOcc 0
79 mol 234 unq 2 iso 0 dist 5.46736 11.7817 9.36357 10.024 6.25105 11.4315 numMergedOcc 0
80 mol 236 unq 0 iso 0 dist 7.87233 15.6279 9.81562 4.71339 5.34718 11.8759 numMergedOcc 0
81 mol 236 unq 1 iso 0 dist 7.87233 13.7246 7.68742 4.71339 5.34718 11.3552 numMergedOcc 0
82 mol 236 unq 2 iso 0 dist 7.87233 10.5269 6.27581 4.71339 5.34718 6.04825 numMergedOcc 0
83 mol 239 unq 0 iso 0 dist 6.43546 5.54495 7.00034 10.9732 7.20082 7.04058 numMergedOcc 0
84 mol 249 unq 0 iso 0 dist 6.26142 5.59015 7.57994 10.0505 8.83735 5.23473 numMergedOcc 0
85 mol 249 unq 1 iso 0 dist 6.26142 4.77325 6.18582 10.0505 8.83735 7.38675 numMergedOcc 0
86 mol 277 unq 0 iso 0 dist 4.81916 7.94155 9.7748 6.20663 9.41725 6.58374 numMergedOcc 0
87 mol 282 unq 0 iso 0 dist 7.71088 5.86383 8.04483 6.7858 8.8673 10.1236 numMergedOcc 0
88 mol 282 unq 1 iso 0 dist 7.71088 11.2986 8.76532 6.7858 8.8673 8.14825 numMergedOcc 0
89 mol 282 unq 2 iso 0 dist 7.71088 7.46064 6.33524 6.7858 8.8673 7.36881 numMergedOcc 0
