0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 20.1827 10.515 9.36807 19.4516 10.5461 13.2247 6.36911 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.6104 8.41585 10.9688 6.06176 6.36911 15.637 12.2333 13.2247 9.36807 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 9.05346 6.2983 7.03948 5.48395 6.31718 6.92781 5.47769 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 6.36377 4.78943 5.05803 9.05346 6.2983 7.03948 10.1011 10.9143 10.7015 6.58035 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 6.36377 5.48395 6.31718 9.05346 6.2983 5.47769 4.78943 5.05803 6.92781 7.03948 numMergedOcc 0
5 mol 16 unq 3 iso 0 dist 6.36377 5.48395 6.31718 9.05346 6.2983 5.47769 10.1011 10.9143 5.32694 6.58035 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 17.1125 11.887 9.16962 22.2267 18.9645 13.2136 8.82012 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 7.19021 4.18584 6.43774 9.61766 4.71384 7.06308 9.0702 7.2846 5.24762 6.34173 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 7.19021 4.18584 6.43774 9.61766 4.71384 7.06308 9.28111 10.8302 5.48601 9.43442 numMergedOcc 0
9 mol 45 unq 2 iso 0 dist 7.19021 9.0702 7.2846 9.61766 4.71384 6.34173 4.18584 6.43774 5.24762 7.06308 numMergedOcc 0
10 mol 45 unq 3 iso 0 dist 7.19021 9.0702 7.2846 9.61766 4.71384 6.34173 9.28111 10.8302 5.101 9.43442 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 14.6315 11.6116 9.47876 7.83419 7.66905 6.9948 7.22293 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 6.58793 7.83419 7.66905 14.6315 11.6116 7.22293 9.21014 6.19965 6.9948 9.47876 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 9.44713 4.1386 7.35754 10.573 4.77056 7.52743 5.74067 10.1937 5.59517 8.71128 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 15.8125 11.3902 8.66155 11.4509 13.8473 7.69052 9.66954 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 4.98864 6.59772 6.11741 9.44544 4.61908 9.66954 10.9437 7.88312 7.69052 8.66155 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 4.98864 10.9437 7.88312 9.44544 4.61908 8.66155 6.59772 6.11741 7.69052 9.66954 numMergedOcc 0
17 mol 115 unq 3 iso 0 dist 7.95871 4.86477 6.11741 12.2966 4.61908 9.66954 12.0354 7.88312 7.69052 8.66155 numMergedOcc 0
18 mol 115 unq 4 iso 0 dist 7.95871 12.0354 7.88312 12.2966 4.61908 8.66155 4.86477 6.11741 7.69052 9.66954 numMergedOcc 0
19 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 9.58171 4.91401 6.62561 5.27151 7.83136 7.22206 7.63616 numMergedOcc 0
20 mol 117 unq 1 iso 0 dist 6.90827 5.27151 7.83136 9.58171 4.91401 7.63616 10.4485 7.90328 7.22206 6.62561 numMergedOcc 0
21 mol 117 unq 2 iso 0 dist 8.90977 13.8755 7.90328 13.2996 4.91401 6.62561 10.6616 7.83136 7.22206 7.63616 numMergedOcc 0
22 mol 117 unq 3 iso 0 dist 8.90977 10.6616 7.83136 13.2996 4.91401 7.63616 13.8755 7.90328 7.22206 6.62561 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 10.2497 10.3457 8.43904 12.1192 13.9919 9.22558 6.19042 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.44385 12.1192 9.87172 10.2497 6.35763 6.19042 5.3154 10.1813 9.22558 8.43904 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 8.44385 12.1192 9.87172 13.4009 7.36192 7.44174 18.9823 14.5183 11.3169 7.39889 numMergedOcc 0
26 mol 119 unq 3 iso 0 dist 8.44385 12.1192 9.87172 13.4009 7.36192 7.44174 10.5268 10.3704 12.4603 9.63176 numMergedOcc 0
27 mol 119 unq 4 iso 0 dist 5.63005 10.5268 8.73993 13.4009 10.6679 9.63176 18.9823 16.7981 11.6667 7.39889 numMergedOcc 0
28 mol 119 unq 5 iso 0 dist 5.63005 10.5268 8.73993 13.4009 10.6679 9.63176 12.1192 12.6489 12.4603 7.44174 numMergedOcc 0
29 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 16.2351 14.085 8.59981 17.0795 17.6472 11.279 6.192 numMergedOcc 0
30 mol 127 unq 1 iso 0 dist 9.42513 8.60326 9.30299 16.2351 14.085 8.59981 15.5134 15.0647 11.4958 7.69308 numMergedOcc 0
31 mol 127 unq 2 iso 0 dist 9.42513 8.60326 9.30299 16.2351 14.085 8.59981 12.7837 14.7391 5.55757 7.66331 numMergedOcc 0
32 mol 127 unq 3 iso 0 dist 9.42513 8.60326 9.30299 13.306 13.1312 7.34519 12.7837 14.7391 5.55757 8.58999 numMergedOcc 0
33 mol 127 unq 4 iso 0 dist 9.42513 8.60326 9.30299 13.306 13.1312 7.34519 11.4002 14.9565 6.16471 6.63981 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 6.31125 4.29914 7.12972 9.90096 6.19596 8.6243 5.59449 6.85062 6.63273 6.91348 numMergedOcc 0
35 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 9.90096 6.19596 6.91348 4.29914 7.12972 6.63273 8.6243 numMergedOcc 0
36 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 10.9124 9.92344 6.03703 6.34266 11.5751 4.35917 7.61505 numMergedOcc 0
37 mol 155 unq 0 iso 0 dist 6.7973 5.01118 6.23493 9.16944 4.9093 9.17284 10.1253 12.1555 10.6882 9.87281 numMergedOcc 0
38 mol 155 unq 1 iso 0 dist 6.7973 5.01118 6.23493 9.16944 4.9093 9.17284 9.88413 11.6934 12.1545 8.87452 numMergedOcc 0
39 mol 214 unq 0 iso 0 dist 9.51764 6.53326 8.85478 11.3587 6.67959 7.46831 16.3046 11.9355 10.3105 8.60247 numMergedOcc 0
40 mol 214 unq 1 iso 0 dist 5.36829 12.3481 8.85478 10.5513 6.67959 7.46831 12.3216 11.9355 10.3105 8.60247 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 11.3096 5.29877 6.67585 5.72088 6.57273 4.70378 6.65984 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 8.39002 5.72088 6.57273 11.3096 5.29877 6.65984 9.98893 8.95269 4.70378 6.67585 numMergedOcc 0
43 mol 224 unq 2 iso 0 dist 8.46129 5.72088 6.60589 11.3096 6.12232 6.65984 9.98893 9.99123 4.70378 6.67585 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 16.431 9.13836 8.17891 14.0536 10.8157 5.22356 6.95902 numMergedOcc 0
45 mol 235 unq 0 iso 0 dist 8.48065 5.23741 5.4638 14.8164 9.66021 9.58736 13.1868 11.9862 9.85037 9.43058 numMergedOcc 0
46 mol 235 unq 1 iso 0 dist 8.48065 5.23741 5.4638 14.8164 9.66021 9.58736 17.8802 15.2592 13.6669 8.75735 numMergedOcc 0
47 mol 235 unq 2 iso 0 dist 8.48065 5.23741 5.4638 14.8164 9.66021 9.58736 21.6511 15.3051 16.4493 6.98084 numMergedOcc 0
48 mol 235 unq 3 iso 0 dist 8.48065 5.23741 5.4638 14.8164 9.66021 9.58736 20.4398 16.4776 15.4 7.32211 numMergedOcc 0
49 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 10.3034 11.3552 7.17676 11.247 7.68742 7.28249 5.34718 numMergedOcc 0
50 mol 236 unq 1 iso 0 dist 9.89665 11.247 7.68742 10.3034 11.3552 5.34718 4.38595 6.84306 7.28249 7.17676 numMergedOcc 0
51 mol 236 unq 2 iso 0 dist 9.05929 4.38595 8.35971 10.3034 6.40312 7.17676 11.247 11.2141 7.28249 5.34718 numMergedOcc 0
52 mol 236 unq 3 iso 0 dist 5.66569 11.2013 9.99038 6.98151 6.04825 7.17676 4.15973 6.27581 7.28249 5.34718 numMergedOcc 0
53 mol 236 unq 4 iso 0 dist 5.66569 4.15973 6.27581 6.98151 6.04825 5.34718 11.2013 9.99038 7.28249 7.17676 numMergedOcc 0
54 mol 236 unq 5 iso 0 dist 6.11137 15.1664 9.99038 9.91572 6.04825 7.17676 9.01197 6.27581 7.28249 5.34718 numMergedOcc 0
55 mol 236 unq 6 iso 0 dist 6.11137 9.01197 6.27581 9.91572 6.04825 5.34718 15.1664 9.99038 7.28249 7.17676 numMergedOcc 0
56 mol 238 unq 0 iso 0 dist 6.24928 5.33567 6.57393 8.81534 6.20606 5.38637 9.85437 11.101 5.42006 6.55759 numMergedOcc 0
57 mol 238 unq 1 iso 0 dist 9.94315 12.521 5.72887 12.9182 13.069 9.29858 16.7396 12.8711 10.1648 9.68513 numMergedOcc 0
58 mol 238 unq 2 iso 0 dist 8.59074 9.18011 5.72887 9.77231 13.069 9.29858 15.3161 12.8711 10.1648 9.68513 numMergedOcc 0
59 mol 238 unq 3 iso 0 dist 6.2365 4.7157 5.72887 10.2583 13.069 9.29858 14.1709 12.8711 10.1648 9.68513 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 13.1236 11.6195 7.48005 12.7351 15.9169 12.5353 8.37865 numMergedOcc 0
61 mol 259 unq 1 iso 0 dist 9.54857 15.3806 7.46176 10.5864 5.79468 7.48005 10.0253 11.858 12.5353 8.37865 numMergedOcc 0
62 mol 259 unq 2 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 15.0854 12.0576 12.5353 7.48005 numMergedOcc 0
