0 mol 43 unq 0 iso 0 dist 9.76585 11.3999 7.21995 4.89928 6.57633 6.53557 13.5968 3.83842 8.81562 10.2266 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.04514 9.66389 5.35252 12.2639 8.8645 5.76698 14.4979 6.44604 7.99434 7.78689 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 9.14072 9.90363 5.06188 12.5909 8.3491 5.75684 14.9479 6.4561 8.10222 7.70645 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 5.55798 6.05149 8.64686 4.95654 7.82966 7.18389 7.06029 4.13187 6.65972 8.75375 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 5.55798 6.05149 8.64686 4.95654 7.82966 7.18389 8.97789 9.13196 4.2253 9.14743 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 5.55798 6.05149 8.64686 10.0025 8.26763 11.5374 7.06029 4.13187 6.65972 9.04293 numMergedOcc 0
6 mol 79 unq 3 iso 0 dist 5.55798 6.05149 8.64686 10.0025 8.26763 11.5374 8.97789 9.13196 4.2253 10.8282 numMergedOcc 0
7 mol 79 unq 4 iso 0 dist 5.55798 6.05149 8.64686 6.35003 6.30814 5.21981 7.06029 4.13187 6.65972 4.78333 numMergedOcc 0
8 mol 79 unq 5 iso 0 dist 5.55798 6.05149 8.64686 6.35003 6.30814 5.21981 8.97789 9.13196 4.2253 4.74254 numMergedOcc 0
9 mol 79 unq 6 iso 0 dist 5.55798 6.05149 8.64686 3.45432 7.318 8.12985 7.06029 4.13187 6.65972 9.18411 numMergedOcc 0
10 mol 79 unq 7 iso 0 dist 5.55798 6.05149 8.64686 3.45432 7.318 8.12985 8.97789 9.13196 4.2253 11.446 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 6.77845 9.39588 7.2118 11.6894 7.93119 9.38885 9.94528 4.48523 7.69755 11.0219 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 6.77845 9.39588 7.2118 6.51558 5.25361 4.93836 9.94528 4.48523 7.69755 5.35861 numMergedOcc 0
13 mol 83 unq 2 iso 0 dist 5.48555 12.0034 7.2118 10.6214 7.93119 9.38885 8.94777 4.48523 7.69755 11.0219 numMergedOcc 0
14 mol 83 unq 3 iso 0 dist 5.48555 12.0034 7.2118 9.07479 5.25361 4.93836 8.94777 4.48523 7.69755 5.35861 numMergedOcc 0
15 mol 83 unq 4 iso 0 dist 5.39805 6.61275 7.2118 6.23042 7.93119 9.38885 9.28583 4.48523 7.69755 11.0219 numMergedOcc 0
16 mol 83 unq 5 iso 0 dist 5.39805 6.61275 7.2118 7.0157 5.25361 4.93836 9.28583 4.48523 7.69755 5.35861 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 9.05865 9.56212 8.10386 10.2179 9.66676 11.6479 13.317 6.72402 6.7638 10.6388 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 9.03587 8.09915 13.4486 15.1522 9.57585 9.12589 12.0605 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 5.21088 4.65303 7.36571 3.81315 7.75405 7.56199 5.05414 3.9335 5.03588 8.7652 numMergedOcc 0
20 mol 192 unq 1 iso 0 dist 8.25609 4.65303 9.17137 3.81315 7.49971 7.56199 5.05414 10.6087 5.03588 8.7652 numMergedOcc 0
21 mol 192 unq 2 iso 0 dist 8.25609 4.65303 9.17137 9.53633 9.07427 9.186 5.05414 10.6087 5.03588 13.4673 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 9.04342 4.03375 5.61326 8.79306 8.84149 7.83764 12.0608 8.51428 9.16422 16.0519 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 8.47833 11.2438 6.43519 6.10058 7.53734 6.31671 8.93485 6.82382 8.83628 7.68686 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 5.47586 7.47443 6.43519 3.50446 7.53734 6.31671 5.66636 6.82382 8.83628 7.68686 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 6.96248 5.66584 7.14859 11.9352 8.43856 13.8618 6.16127 8.95194 9.31611 15.192 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 6.96248 5.66584 7.14859 11.9352 8.43856 13.8618 6.16127 8.95194 9.31611 15.192 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 6.96248 5.66584 7.14859 11.9352 8.43856 13.8618 6.16127 8.95194 9.31611 15.192 numMergedOcc 0
