0 mol 4 unq 0 iso 0 dist 8.67981 11.5212 6.12485 14.676 6.21697 6.86951 7.97369 6.66589 6.56189 9.80478 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 7.44542 4.60834 8.15864 4.62913 10.1259 6.6051 5.85944 12.5465 6.67154 8.17618 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 6.97882 6.27329 5.62336 9.4868 5.38943 5.63748 11.2491 9.1329 5.507 5.26938 numMergedOcc 0
3 mol 87 unq 1 iso 0 dist 6.97882 6.27329 5.62336 9.4868 5.38943 5.63748 12.8734 9.03114 7.26523 8.91602 numMergedOcc 0
4 mol 87 unq 2 iso 0 dist 9.4868 15.7737 9.90256 15.7638 6.69898 7.57471 11.2491 5.26938 5.30415 6.8014 numMergedOcc 0
5 mol 87 unq 3 iso 0 dist 9.4868 6.27329 5.63748 6.97882 5.38943 5.62336 11.2491 5.26938 5.507 9.1329 numMergedOcc 0
6 mol 87 unq 4 iso 0 dist 9.4868 6.27329 5.63748 6.97882 5.38943 5.62336 5.00184 11.099 5.76272 9.33217 numMergedOcc 0
7 mol 87 unq 5 iso 0 dist 9.4868 6.27329 5.63748 6.97882 5.38943 5.62336 12.8734 8.91602 7.26523 9.03114 numMergedOcc 0
8 mol 87 unq 6 iso 0 dist 7.7858 7.88443 5.62336 10.847 5.38943 5.63748 11.2195 9.1329 5.507 5.26938 numMergedOcc 0
9 mol 87 unq 7 iso 0 dist 7.7858 7.88443 5.62336 10.847 5.38943 5.63748 5.66355 9.03114 7.26523 8.91602 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.96416 5.9683 5.79195 5.9962 9.34083 8.76088 4.58263 13.8241 8.99025 8.96061 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 7.17051 5.9683 9.2759 5.9962 11.2107 8.76088 4.58263 10.2321 8.99025 8.96061 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 9.60268 9.78459 9.11481 13.3612 6.11195 7.41092 6.51864 8.8573 5.06947 9.35182 numMergedOcc 0
13 mol 168 unq 1 iso 0 dist 8.79954 9.70858 9.11481 11.9617 6.11195 7.41092 5.14137 8.8573 5.06947 9.35182 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 8.55805 4.74145 6.39087 10.9802 6.99846 9.86144 15.5892 7.30244 12.2765 9.58343 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 8.20542 4.60599 8.63249 9.73914 15.386 7.74348 13.8304 21.314 13.0929 9.96011 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 5.6568 4.24722 7.74348 12.2537 15.386 8.63249 15.1664 16.3801 13.6195 9.97357 numMergedOcc 0
17 mol 236 unq 2 iso 0 dist 5.6568 4.24722 7.74348 12.2537 15.386 8.63249 9.01197 12.2331 7.45579 6.36941 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 9.17911 13.8539 7.25618 14.4126 7.64421 8.70193 17.1229 8.81059 4.51422 7.9357 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 9.17911 13.8539 7.25618 14.4126 7.64421 8.70193 15.539 9.12006 4.99997 5.79537 numMergedOcc 0
20 mol 258 unq 2 iso 0 dist 9.52903 9.6053 7.25618 12.3615 7.64421 8.70193 7.52881 8.81059 4.51422 7.9357 numMergedOcc 0
21 mol 258 unq 3 iso 0 dist 9.52903 9.6053 7.25618 12.3615 7.64421 8.70193 12.3042 9.12006 4.99997 5.79537 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 7.47179 6.53276 6.45597 10.6184 5.69849 9.18785 11.3154 7.13655 5.37435 8.98486 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 7.47179 6.53276 6.45597 10.6184 5.69849 9.18785 11.3154 7.13655 5.37435 8.98486 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 7.47179 6.53276 6.45597 10.6184 5.69849 9.18785 11.3154 7.13655 5.37435 8.98486 numMergedOcc 0
