0 mol 16 unq 0 iso 0 dist 8.62634 6.68517 6.05535 10.1407 14.0448 8.47315 5.65481 9.04834 4.7319 5.59769 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.19567 8.90024 14.2671 18.5048 23.8644 9.74445 13.9129 19.1124 8.80331 10.323 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.19567 8.90024 14.2671 18.5048 23.8644 9.74445 5.84171 11.7216 6.20293 14.445 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 9.34433 8.90024 12.0037 18.5048 19.9271 9.74445 13.9129 19.9708 8.80331 10.323 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 9.34433 8.90024 12.0037 18.5048 19.9271 9.74445 5.84171 13.3384 6.20293 14.445 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 7.96502 5.50504 6.32949 5.25196 8.30431 9.62468 7.62418 9.59947 6.65721 10.7369 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 7.96502 5.50504 6.32949 5.25196 8.30431 9.62468 6.53977 12.3891 6.72123 11.5608 numMergedOcc 0
7 mol 61 unq 2 iso 0 dist 7.96502 5.50504 6.32949 6.97911 4.628 5.92705 7.62418 9.59947 6.65721 5.4671 numMergedOcc 0
8 mol 61 unq 3 iso 0 dist 7.96502 5.50504 6.32949 6.97911 4.628 5.92705 6.53977 12.3891 6.72123 10.1513 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 15.1474 10.9081 7.4729 10.7572 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 8.66262 10.3582 6.82344 5.50764 numMergedOcc 0
11 mol 94 unq 0 iso 0 dist 6.63924 6.31237 6.0901 11.0606 14.5401 9.33801 6.26149 11.1445 7.89459 5.81332 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 10.8385 16.6618 9.10229 8.90571 13.5476 7.36792 8.17186 numMergedOcc 0
13 mol 102 unq 1 iso 0 dist 6.7095 8.84131 7.49575 10.8385 5.43401 9.10229 8.90571 9.0361 7.36792 8.17186 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 6.15949 6.71345 5.24877 5.67441 5.31281 8.42445 6.49725 9.24515 7.5732 7.18757 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 9.18707 9.50575 11.7723 9.78923 15.2064 6.7225 6.68557 12.9952 5.11551 5.39296 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.91786 9.50575 7.10772 9.78923 11.1256 6.7225 6.68557 7.83568 5.11551 5.39296 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 6.7402 4.68975 8.08748 8.95641 14.9147 7.78849 9.30817 13.9196 9.89303 11.454 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 6.1397 8.14441 8.0974 14.4072 18.3231 6.69288 12.2822 numMergedOcc 0
19 mol 178 unq 1 iso 0 dist 9.3355 8.04723 13.6129 6.1397 8.14441 8.0974 13.0519 19.4581 6.43573 12.4338 numMergedOcc 0
20 mol 178 unq 2 iso 0 dist 9.3355 8.04723 13.6129 6.1397 8.14441 8.0974 10.5681 17.5964 7.17202 13.9722 numMergedOcc 0
21 mol 178 unq 3 iso 0 dist 9.3355 8.04723 13.6129 6.1397 8.14441 8.0974 9.1499 17.9703 8.81551 13.5599 numMergedOcc 0
22 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 10.121 9.174 9.72526 5.3674 6.40592 7.4631 4.86437 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 7.74708 9.91518 4.69872 5.49004 10.1334 9.82774 12.8387 11.9787 8.44326 10.5903 numMergedOcc 0
24 mol 278 unq 1 iso 0 dist 6.03414 9.91518 8.66976 5.49004 8.87405 9.82774 12.8387 15.1476 8.44326 10.5903 numMergedOcc 0
25 mol 278 unq 2 iso 0 dist 9.82026 9.91518 17.1306 5.49004 13.0087 9.82774 12.8387 22.2099 8.44326 10.5903 numMergedOcc 0
