0 mol 7 unq 0 iso 0 dist 6.28925 9.87885 5.35168 9.0379 7.5706 10.25 13.2247 8.70159 6.1206 15.4949 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.70159 6.1206 5.35168 15.4949 7.5706 10.25 13.2247 6.28925 9.87885 9.0379 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 5.61656 6.07517 8.74649 5.03351 8.67487 10.442 5.34368 6.95343 6.74179 6.89466 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 6.95343 6.74179 8.74649 6.89466 8.67487 10.442 5.34368 5.61656 6.07517 5.03351 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.33919 9.73086 10.4668 14.9342 6.43377 12.8207 5.4148 9.79143 7.4369 13.3558 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.79143 7.4369 10.4668 13.3558 6.43377 12.8207 5.4148 9.33919 9.73086 14.9342 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.43377 5.5087 4.25755 14.9342 9.33919 13.3207 8.07446 9.83298 5.61588 18.8875 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 6.43377 5.5087 4.25755 13.3558 9.79143 13.8368 8.07446 9.83298 5.61588 19.3309 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 6.43377 6.08682 6.08046 14.9342 9.33919 14.498 8.07446 9.83298 7.83244 18.8875 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 6.43377 6.08682 6.08046 13.3558 9.79143 14.5999 8.07446 9.83298 7.83244 19.3309 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.30559 7.51139 9.68157 13.5016 5.96359 13.6401 12.1547 9.87388 7.80898 9.94966 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 9.30559 7.51139 9.68157 11.8813 7.48974 14.5667 12.1547 9.87388 7.80898 12.0764 numMergedOcc 0
12 mol 88 unq 2 iso 0 dist 9.30559 7.51139 9.68157 11.6198 8.40428 16.1334 12.1547 9.87388 7.80898 15.8442 numMergedOcc 0
13 mol 88 unq 3 iso 0 dist 6.066 7.80898 6.29943 5.57085 9.36032 12.785 12.1547 10.0313 7.51139 17.4556 numMergedOcc 0
14 mol 88 unq 4 iso 0 dist 6.066 7.80898 6.29943 9.94966 8.3592 13.6401 12.1547 10.0313 7.51139 13.5016 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 4.5985 9.21662 8.59989 10.8586 8.20656 10.5432 10.8375 12.5743 8.91882 11.5403 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.70093 8.95212 10.9729 9.93257 6.69217 7.64052 10.9871 11.3244 6.99446 4.85907 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 6.69217 7.64052 10.9729 9.93257 9.70093 8.95212 4.85907 11.3244 6.99446 10.9871 numMergedOcc 0
18 mol 219 unq 0 iso 0 dist 5.40597 4.33238 4.27314 13.4387 8.69579 11.734 7.02195 7.66784 7.83604 10.7348 numMergedOcc 0
19 mol 219 unq 1 iso 0 dist 5.40597 4.33238 4.27314 10.8119 6.71733 10.9627 7.02195 7.66784 7.83604 10.6748 numMergedOcc 0
20 mol 219 unq 2 iso 0 dist 7.66784 7.83604 4.27314 10.7348 8.69579 11.734 7.02195 5.40597 4.33238 13.4387 numMergedOcc 0
21 mol 219 unq 3 iso 0 dist 7.66784 7.83604 4.27314 10.6748 6.71733 10.9627 7.02195 5.40597 4.33238 10.8119 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 9.31373 8.1945 5.95485 12.0157 8.25629 11.751 13.3965 9.88976 6.50998 12.5593 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 9.31373 8.1945 5.95485 15.3446 9.20561 12.0438 13.3965 9.88976 6.50998 16.5576 numMergedOcc 0
24 mol 225 unq 2 iso 0 dist 9.88976 6.50998 5.95485 12.5593 8.25629 11.751 13.3965 9.31373 8.1945 12.0157 numMergedOcc 0
25 mol 225 unq 3 iso 0 dist 9.88976 6.50998 5.95485 16.5576 9.20561 12.0438 13.3965 9.31373 8.1945 15.3446 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 6.35438 7.81215 4.76962 5.88703 7.72403 11.6391 10.2693 9.57132 5.64285 15.2225 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 9.57132 5.64285 4.76962 15.2225 7.72403 11.6391 10.2693 6.35438 7.81215 5.88703 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 5.45139 6.73665 7.77371 12.7454 8.10769 13.4991 11.347 15.6017 9.34438 22.1653 numMergedOcc 0
29 mol 239 unq 1 iso 0 dist 5.45139 6.73665 7.77371 12.7454 8.10769 13.4991 7.97994 11.2051 9.35949 14.8944 numMergedOcc 0
30 mol 264 unq 0 iso 0 dist 8.29556 5.90924 4.46882 7.07277 8.47755 5.90058 8.96144 11.3076 9.58916 14.3597 numMergedOcc 0
31 mol 264 unq 1 iso 0 dist 8.47755 5.90058 4.46882 7.07277 8.29556 5.90924 14.3597 11.3076 9.58916 8.96144 numMergedOcc 0
