0 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 9.9705 6.19965 4.26409 7.39648 7.33422 6.82174 7.91778 numMergedOcc 0
1 mol 85 unq 0 iso 1 dist 9.67557 9.9705 6.19965 6.53819 7.95579 4.26409 7.39648 7.33422 7.91778 6.82174 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 9.67557 6.53819 7.95579 15.3279 7.66905 10.7229 7.39648 7.33422 6.82174 10.121 numMergedOcc 0
3 mol 85 unq 1 iso 1 dist 9.67557 15.3279 7.66905 6.53819 7.95579 10.7229 7.39648 7.33422 10.121 6.82174 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 15.3279 7.66905 6.9948 7.39648 7.33422 7.91778 10.121 numMergedOcc 0
5 mol 85 unq 1 iso 1 dist 9.67557 15.3279 7.66905 9.9705 6.19965 6.9948 7.39648 7.33422 10.121 7.91778 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 9.54167 9.64443 13.1316 10.9332 6.61823 6.08245 7.24315 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 7.11695 9.54167 9.64443 14.4144 9.33898 13.1316 10.9332 6.61823 7.24315 6.08245 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 7.11695 14.4144 9.33898 9.54167 9.64443 13.1316 8.98815 6.49956 6.86728 12.163 numMergedOcc 0
9 mol 92 unq 1 iso 1 dist 7.11695 9.54167 9.64443 14.4144 9.33898 13.1316 8.98815 6.49956 12.163 6.86728 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 9.90769 13.4578 9.60462 6.69178 7.45389 7.05226 7.63956 8.729 11.0629 5.48848 numMergedOcc 0
11 mol 112 unq 0 iso 1 dist 9.90769 6.69178 7.45389 13.4578 9.60462 7.05226 7.63956 8.729 5.48848 11.0629 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 6.65283 6.49416 5.00526 6.20072 5.53031 5.35679 8.46636 numMergedOcc 0
13 mol 134 unq 0 iso 1 dist 8.86784 6.65283 6.49416 5.15251 6.54501 5.00526 6.20072 5.53031 8.46636 5.35679 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 9.66197 9.86662 6.81259 11.868 8.20836 9.4027 5.12325 numMergedOcc 0
15 mol 134 unq 1 iso 1 dist 9.16358 9.66197 9.86662 10.0911 8.94367 6.81259 11.868 8.20836 5.12325 9.4027 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 10.2893 6.43573 5.34677 6.80181 4.92088 10.1489 8.27339 numMergedOcc 0
17 mol 178 unq 0 iso 1 dist 9.63185 10.2893 6.43573 14.4816 6.69288 5.34677 6.80181 4.92088 8.27339 10.1489 numMergedOcc 0
18 mol 178 unq 1 iso 0 dist 9.63185 14.4816 6.69288 9.7684 7.17202 11.7381 6.80181 4.92088 10.1489 9.79302 numMergedOcc 0
19 mol 178 unq 1 iso 1 dist 9.63185 9.7684 7.17202 14.4816 6.69288 11.7381 6.80181 4.92088 9.79302 10.1489 numMergedOcc 0
20 mol 178 unq 2 iso 0 dist 9.63185 14.4816 6.69288 5.37264 8.81551 14.0703 6.80181 4.92088 10.1489 8.65097 numMergedOcc 0
21 mol 178 unq 2 iso 1 dist 9.63185 5.37264 8.81551 14.4816 6.69288 14.0703 6.80181 4.92088 8.65097 10.1489 numMergedOcc 0
22 mol 178 unq 1 iso 0 dist 9.63185 10.2893 6.43573 9.7684 7.17202 9.89739 6.80181 4.92088 8.27339 9.79302 numMergedOcc 0
23 mol 178 unq 1 iso 1 dist 9.63185 9.7684 7.17202 10.2893 6.43573 9.89739 6.80181 4.92088 9.79302 8.27339 numMergedOcc 0
24 mol 178 unq 2 iso 0 dist 9.63185 10.2893 6.43573 5.37264 8.81551 10.5529 6.80181 4.92088 8.27339 8.65097 numMergedOcc 0
25 mol 178 unq 2 iso 1 dist 9.63185 5.37264 8.81551 10.2893 6.43573 10.5529 6.80181 4.92088 8.65097 8.27339 numMergedOcc 0
26 mol 178 unq 2 iso 0 dist 9.63185 9.7684 7.17202 5.37264 8.81551 5.18005 6.80181 4.92088 9.79302 8.65097 numMergedOcc 0
27 mol 178 unq 2 iso 1 dist 9.63185 5.37264 8.81551 9.7684 7.17202 5.18005 6.80181 4.92088 8.65097 9.79302 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 9.44947 10.5243 7.10633 10.2677 8.51516 10.8344 4.80028 6.85441 8.17229 5.74707 numMergedOcc 0
29 mol 204 unq 0 iso 1 dist 9.44947 10.2677 8.51516 10.5243 7.10633 10.8344 4.80028 6.85441 5.74707 8.17229 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 8.95375 6.84704 8.02137 7.72969 9.774 10.4 11.157 8.70977 6.3188 9.9412 numMergedOcc 0
31 mol 206 unq 0 iso 1 dist 8.95375 7.72969 9.774 6.84704 8.02137 10.4 11.157 8.70977 9.9412 6.3188 numMergedOcc 0
32 mol 206 unq 1 iso 0 dist 9.29007 12.4178 8.02137 9.9578 9.774 10.4 7.41593 8.70977 6.3188 9.9412 numMergedOcc 0
33 mol 206 unq 1 iso 1 dist 9.29007 9.9578 9.774 12.4178 8.02137 10.4 7.41593 8.70977 9.9412 6.3188 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 9.92165 10.1227 9.65138 6.83063 7.14453 9.10746 13.4719 6.38157 7.38025 9.35273 numMergedOcc 0
35 mol 214 unq 0 iso 1 dist 9.92165 6.83063 7.14453 10.1227 9.65138 9.10746 13.4719 6.38157 9.35273 7.38025 numMergedOcc 0
36 mol 214 unq 1 iso 0 dist 9.92165 10.1227 9.65138 12.7439 8.85478 4.40923 13.4719 6.38157 7.38025 5.63388 numMergedOcc 0
37 mol 214 unq 1 iso 1 dist 9.92165 12.7439 8.85478 10.1227 9.65138 4.40923 13.4719 6.38157 5.63388 7.38025 numMergedOcc 0
38 mol 214 unq 1 iso 0 dist 9.92165 6.83063 7.14453 12.7439 8.85478 11.3796 13.4719 6.38157 9.35273 5.63388 numMergedOcc 0
39 mol 214 unq 1 iso 1 dist 9.92165 12.7439 8.85478 6.83063 7.14453 11.3796 13.4719 6.38157 5.63388 9.35273 numMergedOcc 0
40 mol 220 unq 0 iso 0 dist 5.39218 13.3213 9.23153 11.4842 8.24498 10.5449 7.67381 5.45036 6.17628 10.4136 numMergedOcc 0
41 mol 220 unq 0 iso 1 dist 5.39218 11.4842 8.24498 13.3213 9.23153 10.5449 7.67381 5.45036 10.4136 6.17628 numMergedOcc 0
42 mol 220 unq 1 iso 0 dist 5.39218 13.3213 9.23153 11.4842 8.24498 10.5449 10.0433 9.97586 14.0253 6.20511 numMergedOcc 0
43 mol 220 unq 1 iso 1 dist 5.39218 11.4842 8.24498 13.3213 9.23153 10.5449 10.0433 9.97586 6.20511 14.0253 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 6.77368 8.47937 6.00706 10.4837 7.54212 6.8425 6.00427 8.48341 6.03524 7.60395 numMergedOcc 0
45 mol 222 unq 0 iso 1 dist 6.77368 10.4837 7.54212 8.47937 6.00706 6.8425 6.00427 8.48341 7.60395 6.03524 numMergedOcc 0
46 mol 222 unq 1 iso 0 dist 7.73634 4.81992 6.00706 9.69122 7.54212 6.8425 10.8503 8.48341 6.03524 7.60395 numMergedOcc 0
47 mol 222 unq 1 iso 1 dist 7.73634 9.69122 7.54212 4.81992 6.00706 6.8425 10.8503 8.48341 7.60395 6.03524 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 5.86596 8.38865 11.0628 12.9587 numMergedOcc 0
49 mol 227 unq 0 iso 1 dist 8.27093 10.9533 7.09863 10.9396 7.22101 4.39704 5.86596 8.38865 12.9587 11.0628 numMergedOcc 0
50 mol 234 unq 0 iso 0 dist 5.46736 4.82695 8.34494 4.93623 6.56247 6.29886 9.52353 8.24186 11.7705 5.63086 numMergedOcc 0
51 mol 234 unq 0 iso 1 dist 5.46736 4.93623 6.56247 4.82695 8.34494 6.29886 9.52353 8.24186 5.63086 11.7705 numMergedOcc 0
52 mol 234 unq 1 iso 0 dist 5.46736 4.82695 8.34494 11.7817 9.36357 12.1694 9.52353 8.24186 11.7705 5.6819 numMergedOcc 0
53 mol 234 unq 1 iso 1 dist 5.46736 11.7817 9.36357 4.82695 8.34494 12.1694 9.52353 8.24186 5.6819 11.7705 numMergedOcc 0
54 mol 234 unq 1 iso 0 dist 5.46736 4.93623 6.56247 11.7817 9.36357 7.82322 9.52353 8.24186 5.63086 5.6819 numMergedOcc 0
55 mol 234 unq 1 iso 1 dist 5.46736 11.7817 9.36357 4.93623 6.56247 7.82322 9.52353 8.24186 5.6819 5.63086 numMergedOcc 0
56 mol 236 unq 0 iso 0 dist 7.87233 15.6279 9.81562 13.7246 7.68742 5.79505 15.7632 8.50331 7.22918 9.05842 numMergedOcc 0
57 mol 236 unq 0 iso 1 dist 7.87233 13.7246 7.68742 15.6279 9.81562 5.79505 15.7632 8.50331 9.05842 7.22918 numMergedOcc 0
58 mol 236 unq 1 iso 0 dist 7.87233 15.6279 9.81562 10.5269 6.27581 9.90963 15.7632 8.50331 7.22918 7.00028 numMergedOcc 0
59 mol 236 unq 1 iso 1 dist 7.87233 10.5269 6.27581 15.6279 9.81562 9.90963 15.7632 8.50331 7.00028 7.22918 numMergedOcc 0
60 mol 236 unq 1 iso 0 dist 7.87233 13.7246 7.68742 10.5269 6.27581 11.3368 15.7632 8.50331 9.05842 7.00028 numMergedOcc 0
61 mol 236 unq 1 iso 1 dist 7.87233 10.5269 6.27581 13.7246 7.68742 11.3368 15.7632 8.50331 7.00028 9.05842 numMergedOcc 0
62 mol 258 unq 0 iso 0 dist 9.04358 8.81588 6.60405 5.90131 6.42289 7.26417 9.27882 9.53063 6.6525 5.27959 numMergedOcc 0
63 mol 258 unq 0 iso 1 dist 9.04358 5.90131 6.42289 8.81588 6.60405 7.26417 9.27882 9.53063 5.27959 6.6525 numMergedOcc 0
