0 mol 10 unq 0 iso 0 dist 6.74091 6.31531 9.23608 12.7255 17.8878 9.39017 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.91627 5.25583 4.60834 4.12573 9.61179 6.6691 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 6.91627 5.25583 4.60834 5.83262 12.4366 9.23807 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 6.91627 5.25583 4.60834 10.5333 10.451 9.52857 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 8.70164 8.35897 4.20737 6.19066 10.1814 8.94569 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.40399 6.00684 4.25306 6.0425 9.78129 5.72627 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.40399 6.00684 4.25306 11.8739 10.7493 7.68741 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 8.40399 6.00684 4.25306 12.1206 12.5931 9.86085 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 8.40399 6.00684 4.25306 11.9735 13.6021 9.76351 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 9.04648 9.90769 16.3222 7.07917 13.5904 5.68212 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 8.54297 6.49794 5.72562 6.78058 13.6693 9.05678 numMergedOcc 0
11 mol 128 unq 1 iso 0 dist 8.54297 6.49794 5.72562 7.34304 10.7473 8.73383 numMergedOcc 0
12 mol 128 unq 2 iso 0 dist 9.35162 6.49794 7.5191 6.78058 14.2043 9.05678 numMergedOcc 0
13 mol 128 unq 3 iso 0 dist 9.35162 6.49794 7.5191 7.34304 6.03154 8.73383 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 5.70772 9.89646 14.7037 11.7737 17.2533 7.08651 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 5.70772 9.89646 14.7037 15.5134 20.8178 6.78887 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 4.43243 7.61854 4.60599 12.8555 10.483 5.91739 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 5.92025 7.61854 4.24722 12.8555 8.37813 5.91739 numMergedOcc 0
18 mol 236 unq 2 iso 0 dist 9.04819 7.61854 13.0221 12.8555 17.0201 5.91739 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 8.93292 8.60091 6.42012 4.35114 8.55613 9.18477 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.8678 7.27283 9.81993 6.33919 13.2579 7.53905 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 8.00278 7.27283 10.9633 6.33919 13.2459 7.53905 numMergedOcc 0
22 mol 266 unq 2 iso 0 dist 9.10275 8.35447 9.81993 10.4141 13.2579 7.53905 numMergedOcc 0
23 mol 266 unq 3 iso 0 dist 6.13722 8.35447 10.9633 10.4141 13.2459 7.53905 numMergedOcc 0
