0 mol 41 unq 0 iso 0 dist 8.6783 7.85477 5.31016 13.16 5.14132 6.73801 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 5.35101 4.7391 5.84625 10.3687 10.3974 7.6481 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 5.35101 4.7391 5.84625 12.3446 9.80755 9.11258 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 8.68381 4.35705 5.84625 7.13638 10.3974 7.6481 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 8.68381 4.35705 5.84625 13.3753 9.80755 9.11258 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 7.64177 9.54278 8.2746 14.52 12.1095 6.04903 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 7.92027 6.71938 8.2746 12.7273 12.1095 6.04903 numMergedOcc 0
7 mol 62 unq 2 iso 0 dist 6.08756 5.31715 8.2746 10.0565 12.1095 6.04903 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.79412 9.68856 9.16592 6.18729 7.62048 7.09065 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.99121 10.6956 6.66022 12.7277 5.46352 5.60389 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 9.35162 7.34304 6.03154 8.04178 8.80709 6.98158 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.0302 6.13227 8.01453 11.978 6.47962 8.00449 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.65051 5.50161 8.01453 10.0499 6.47962 8.00449 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 9.41519 9.59112 8.01453 12.4137 6.47962 8.00449 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 5.3184 9.68961 7.13378 14.82 10.9218 9.44952 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 9.99743 12.1363 9.51638 15.1181 12.905 6.64779 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.94464 6.15536 9.07527 8.22583 6.24616 5.97685 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 8.94464 6.15536 9.07527 12.8564 12.5567 8.9289 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 8.63713 10.5886 8.63119 7.82604 5.70246 5.95304 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 8.93292 4.35114 8.55613 11.3633 10.4928 7.12785 numMergedOcc 0
20 mol 243 unq 1 iso 0 dist 8.93292 4.35114 8.55613 8.08534 4.20431 6.66959 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 8.78758 4.19643 9.21145 11.0998 10.3447 7.48235 numMergedOcc 0
