0 mol 0 unq 0 iso 0 dist 8.38106 6.64852 6.8892 11.108 5.55156 5.85361 14.8132 6.82018 13.3928 9.5614 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.70193 6.26414 6.8892 4.4975 5.55156 5.85361 10.2201 6.82018 13.3928 9.5614 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 8.67981 11.5212 6.12485 7.97369 6.66589 6.56189 14.676 6.21697 6.86951 9.80478 numMergedOcc 0
3 mol 4 unq 1 iso 0 dist 8.67981 3.6405 9.04027 7.97369 6.66589 6.22773 14.676 6.21697 14.3341 9.80478 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 16.4344 8.64208 13.0612 16.5954 8.8254 15.268 6.99398 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 8.34804 5.66613 5.80736 16.4344 8.64208 11.8891 16.5954 8.8254 14.0839 6.99398 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 6.97882 6.27329 5.62336 11.2491 9.1329 5.507 9.4868 5.38943 5.63748 5.26938 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 6.97882 6.27329 5.62336 11.2491 9.1329 5.507 15.7638 11.9011 11.1249 6.8014 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 6.97882 6.27329 5.62336 12.8734 9.03114 7.26523 9.4868 5.38943 5.63748 8.91602 numMergedOcc 0
9 mol 87 unq 3 iso 0 dist 9.4868 15.7737 9.90256 11.2491 5.26938 5.30415 6.97882 5.38943 14.3873 9.1329 numMergedOcc 0
10 mol 87 unq 4 iso 0 dist 9.4868 15.7737 9.90256 11.2491 5.26938 5.30415 15.7638 6.69898 7.57471 6.8014 numMergedOcc 0
11 mol 87 unq 5 iso 0 dist 9.4868 15.7737 9.90256 12.8734 8.91602 11.2095 6.97882 5.38943 14.3873 9.03114 numMergedOcc 0
12 mol 87 unq 6 iso 0 dist 9.4868 6.27329 5.63748 11.2491 5.26938 5.507 6.97882 5.38943 5.62336 9.1329 numMergedOcc 0
13 mol 87 unq 7 iso 0 dist 9.4868 6.27329 5.63748 11.2491 5.26938 5.507 15.7638 6.69898 11.1249 6.8014 numMergedOcc 0
14 mol 87 unq 8 iso 0 dist 9.4868 6.27329 5.63748 12.8734 8.91602 7.26523 6.97882 5.38943 5.62336 9.03114 numMergedOcc 0
15 mol 87 unq 9 iso 0 dist 7.7858 7.88443 5.62336 11.2195 9.1329 5.507 10.847 5.38943 5.63748 5.26938 numMergedOcc 0
16 mol 87 unq 10 iso 0 dist 7.7858 7.88443 5.62336 11.2195 9.1329 5.507 15.8836 11.9011 11.1249 6.8014 numMergedOcc 0
17 mol 87 unq 11 iso 0 dist 7.7858 7.88443 5.62336 5.66355 9.03114 7.26523 10.847 5.38943 5.63748 8.91602 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 5.52891 6.87376 5.83719 4.70935 8.62711 11.2447 8.58317 6.87199 12.452 7.73139 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 5.52891 6.87376 5.83719 4.70935 8.62711 11.2447 10.7936 12.663 16.1534 6.66607 numMergedOcc 0
20 mol 132 unq 0 iso 0 dist 7.16287 4.21327 6.94745 4.90475 6.495 5.28089 9.00166 11.8902 10.9107 6.2403 numMergedOcc 0
21 mol 132 unq 1 iso 0 dist 7.16287 4.21327 6.94745 6.34266 9.43748 4.50065 9.00166 11.8902 10.9107 8.34869 numMergedOcc 0
22 mol 168 unq 0 iso 0 dist 9.60268 9.78459 9.11481 6.51864 8.8573 5.06947 13.3612 6.11195 7.41092 9.35182 numMergedOcc 0
23 mol 168 unq 1 iso 0 dist 8.79954 9.70858 9.11481 5.14137 8.8573 5.06947 11.9617 6.11195 7.41092 9.35182 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.55805 4.74145 6.39087 15.5892 7.30244 12.2765 10.9802 6.99846 9.86144 9.58343 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 9.17911 15.4705 8.10903 17.1229 8.81059 5.90131 14.4126 7.64421 11.866 7.9357 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 9.17911 15.4705 8.10903 15.539 9.12006 9.68064 22.9841 16.5108 17.7492 9.47519 numMergedOcc 0
27 mol 258 unq 2 iso 0 dist 9.17911 15.4705 8.10903 15.539 9.12006 9.68064 14.4126 7.64421 11.866 5.79537 numMergedOcc 0
28 mol 258 unq 3 iso 0 dist 9.17911 13.8539 7.25618 17.1229 8.81059 4.51422 14.4126 7.64421 8.70193 7.9357 numMergedOcc 0
29 mol 258 unq 4 iso 0 dist 9.17911 13.8539 7.25618 15.539 9.12006 4.99997 22.9841 16.5108 14.1931 9.47519 numMergedOcc 0
30 mol 258 unq 5 iso 0 dist 9.17911 13.8539 7.25618 15.539 9.12006 4.99997 14.4126 7.64421 8.70193 5.79537 numMergedOcc 0
31 mol 258 unq 6 iso 0 dist 9.52903 5.66907 8.10903 7.52881 8.81059 5.90131 12.3615 7.64421 11.866 7.9357 numMergedOcc 0
32 mol 258 unq 7 iso 0 dist 9.52903 5.66907 8.10903 12.3042 9.12006 9.68064 18.0375 16.5108 17.7492 9.47519 numMergedOcc 0
33 mol 258 unq 8 iso 0 dist 9.52903 5.66907 8.10903 12.3042 9.12006 9.68064 12.3615 7.64421 11.866 5.79537 numMergedOcc 0
34 mol 258 unq 9 iso 0 dist 9.52903 9.6053 7.25618 7.52881 8.81059 4.51422 12.3615 7.64421 8.70193 7.9357 numMergedOcc 0
35 mol 258 unq 10 iso 0 dist 9.52903 9.6053 7.25618 12.3042 9.12006 4.99997 18.0375 16.5108 14.1931 9.47519 numMergedOcc 0
36 mol 258 unq 11 iso 0 dist 9.52903 9.6053 7.25618 12.3042 9.12006 4.99997 12.3615 7.64421 8.70193 5.79537 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 9.56601 12.0471 8.03486 7.84864 6.47376 4.51031 6.70261 6.22487 12.7328 9.6147 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 8.77418 4.17196 7.66585 4.45344 7.35866 7.26724 11.5194 8.53089 13.0301 7.2795 numMergedOcc 0
39 mol 284 unq 1 iso 0 dist 8.77418 4.17196 7.66585 5.88217 7.32482 5.44847 11.5194 8.53089 13.0301 9.41428 numMergedOcc 0
40 mol 284 unq 2 iso 0 dist 8.77418 4.17196 7.66585 5.88217 7.32482 5.44847 13.3357 9.79667 10.6854 8.08993 numMergedOcc 0
41 mol 287 unq 0 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 10.6184 5.69849 9.18785 8.98486 numMergedOcc 0
42 mol 287 unq 1 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 13.9075 6.44062 11.4627 8.70152 numMergedOcc 0
43 mol 288 unq 0 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 10.6184 5.69849 9.18785 8.98486 numMergedOcc 0
44 mol 288 unq 1 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 13.9075 6.44062 11.4627 8.70152 numMergedOcc 0
45 mol 289 unq 0 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 10.6184 5.69849 9.18785 8.98486 numMergedOcc 0
46 mol 289 unq 1 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 13.9075 6.44062 11.4627 8.70152 numMergedOcc 0
