0 mol 4 unq 0 iso 0 dist 8.15534 11.5591 4.88114 5.12159 6.12485 9.84838 7.58769 6.21697 10.9924 6.86951 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 9.5663 12.6498 6.08228 12.0987 5.66803 5.88036 20.6337 12.1186 9.86958 8.85416 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 6.62798 6.32124 9.10245 10.7803 9.90256 5.83874 11.2078 6.69898 10.4317 7.57471 numMergedOcc 0
3 mol 87 unq 1 iso 0 dist 6.62798 6.32124 9.10245 5.34066 5.63748 7.43534 8.21588 5.38943 12.3515 5.62336 numMergedOcc 0
4 mol 87 unq 2 iso 0 dist 9.94718 10.9415 9.10245 13.2349 9.90256 5.83874 14.8798 6.69898 10.4317 7.57471 numMergedOcc 0
5 mol 87 unq 3 iso 0 dist 9.94718 10.9415 9.10245 5.22028 5.63748 7.43534 8.15104 5.38943 12.3515 5.62336 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 5.8915 8.5691 7.81042 5.29804 8.078 8.96379 7.95136 6.73664 13.0426 7.66418 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.79014 4.97361 9.6874 5.41029 6.54778 4.84565 12.5402 8.36743 11.9317 8.57909 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.47105 5.33627 5.12189 11.193 9.2759 10.8516 16.1349 12.1681 14.2037 5.79195 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 7.47105 5.33627 5.12189 11.193 9.2759 10.8516 12.4593 11.2107 9.428 8.76088 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 7.47105 10.6706 7.50126 11.193 9.2759 5.35551 16.1349 12.1681 9.07294 5.79195 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 7.47105 10.6706 7.50126 11.193 9.2759 5.35551 12.4593 11.2107 12.8985 8.76088 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 6.4413 13.2694 9.71692 9.68187 9.18753 11.8278 14.0399 10.8037 16.0883 8.6953 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 6.62609 13.3379 9.73708 9.76535 9.15244 11.6537 14.2346 10.8647 16.0617 8.65967 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 9.36549 12.9479 7.04604 9.94975 7.54658 4.92169 16.7787 8.91303 5.11059 9.95686 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 5.60195 8.66923 7.86207 12.9073 8.57174 14.3078 16.758 12.1405 14.4096 6.80214 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.87359 5.3178 7.86207 15.2936 8.57174 14.3078 17.272 12.1405 14.4096 6.80214 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 5.46484 8.95567 7.6402 5.81446 7.74348 13.5224 14.2393 15.386 21.9904 8.63249 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 8.80671 5.98568 7.6402 14.8289 7.74348 13.5224 22.3246 15.386 21.9904 8.63249 numMergedOcc 0
19 mol 245 unq 0 iso 0 dist 8.03294 6.5213 7.26913 15.5115 7.95061 11.8346 23.2766 15.2703 20.9689 9.5096 numMergedOcc 0
20 mol 245 unq 1 iso 0 dist 8.03294 13.9182 6.41862 15.5115 7.95061 3.53109 23.2766 15.2703 10.8718 9.5096 numMergedOcc 0
21 mol 245 unq 2 iso 0 dist 8.03294 13.8285 8.69377 15.5115 7.95061 9.71014 23.2766 15.2703 15.1895 9.5096 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 9.66298 17.0555 9.70222 6.94755 4.85199 10.6318 6.93654 4.70691 14.3042 6.0437 numMergedOcc 0
23 mol 261 unq 1 iso 0 dist 9.66298 17.0555 9.70222 6.94755 4.85199 10.6318 15.0007 6.43452 9.71882 9.13604 numMergedOcc 0
24 mol 261 unq 2 iso 0 dist 9.66298 17.0555 9.70222 17.3605 9.72159 4.97878 15.0007 6.43452 9.71882 6.89731 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 7.72433 10.8867 9.63694 5.86368 6.57444 13.1376 13.8533 13.1611 21.9878 9.39714 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 7.72433 10.8867 9.63694 4.95934 7.9555 14.6225 9.46926 6.70676 11.475 8.8646 numMergedOcc 0
27 mol 266 unq 2 iso 0 dist 7.72433 7.8329 6.58277 5.86368 6.57444 5.91091 13.8533 13.1611 8.12204 9.39714 numMergedOcc 0
28 mol 266 unq 3 iso 0 dist 7.72433 7.8329 6.58277 4.95934 7.9555 3.93133 9.46926 6.70676 8.42706 8.8646 numMergedOcc 0
29 mol 266 unq 4 iso 0 dist 9.46926 11.7148 8.61786 4.95934 8.8646 9.94141 7.72433 6.70676 13.8394 7.9555 numMergedOcc 0
30 mol 266 unq 5 iso 0 dist 9.46926 7.8329 8.42706 4.95934 8.8646 3.93133 7.72433 6.70676 6.58277 7.9555 numMergedOcc 0
