0 mol 38 unq 0 iso 0 dist 4.74069 7.46414 7.26639 5.86972 4.57886 9.23576 8.80956 4.40004 7.50293 7.35595 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 4.74069 7.46414 7.26639 5.86972 4.57886 9.23576 12.4417 8.68364 9.91611 8.59794 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 9.31543 4.80675 6.69691 7.07421 5.04019 6.29026 10.1938 8.26896 8.54584 11.5533 numMergedOcc 0
3 mol 129 unq 1 iso 0 dist 8.85652 4.80675 5.51197 7.07421 4.79473 6.29026 10.1938 12.1739 8.54584 11.5533 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 9.7105 9.71227 7.22643 19.033 12.9426 9.4473 7.15203 6.9945 8.22656 15.4455 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 9.7105 9.71227 7.22643 19.033 12.9426 9.4473 11.0475 4.19723 6.82262 11.1611 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 9.17216 6.62991 6.59889 5.59682 9.0696 8.89982 11.2249 5.39112 8.56324 13.2491 numMergedOcc 0
7 mol 152 unq 1 iso 0 dist 9.40483 7.17016 6.59889 7.71277 9.0696 8.89982 13.9298 5.39112 8.56324 13.2491 numMergedOcc 0
8 mol 152 unq 2 iso 0 dist 9.44172 6.62991 8.9192 5.59682 9.83062 8.89982 11.2249 4.84714 8.56324 13.2491 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 8.8774 4.85077 9.56028 8.94671 4.82437 7.86625 12.503 8.82964 9.31746 5.40949 numMergedOcc 0
10 mol 224 unq 0 iso 0 dist 8.57781 15.4433 8.08349 7.47122 3.56689 9.75313 13.3678 5.13732 6.61986 6.46679 numMergedOcc 0
11 mol 224 unq 1 iso 0 dist 8.57781 15.4433 8.08349 18.5793 11.4272 6.08709 13.3678 5.13732 6.61986 7.85135 numMergedOcc 0
12 mol 224 unq 2 iso 0 dist 5.36326 4.55824 8.08349 6.6537 3.56689 9.75313 7.04127 5.13732 6.61986 6.46679 numMergedOcc 0
13 mol 224 unq 3 iso 0 dist 5.36326 4.55824 8.08349 9.08719 11.4272 6.08709 7.04127 5.13732 6.61986 7.85135 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 9.67162 5.52669 8.23087 9.13126 4.8226 9.10613 6.73134 4.66414 8.04248 6.0258 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.67281 7.01206 9.12776 5.57184 12.4194 5.24313 13.8075 10.3162 7.31233 12.1448 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.67281 11.2453 9.72188 17.8634 13.338 9.31417 11.7876 7.06793 5.72887 6.62361 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 9.67281 11.2453 9.72188 16.0826 12.046 5.56719 11.7876 7.06793 5.72887 5.96552 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 8.40328 6.18571 5.85442 4.55368 7.06301 7.93997 13.6279 10.067 7.46176 14.8465 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 8.2518 6.18571 6.95511 4.55368 7.80863 7.93997 13.6279 11.6988 7.46176 14.8465 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.91103 5.77904 8.9682 12.4458 13.3706 6.90434 8.35794 17.6038 9.7748 13.2927 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 7.0603 5.77904 6.92711 12.4458 12.1739 6.90434 8.35794 14.772 9.7748 13.2927 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 7.4869 7.38048 6.86234 13.7994 7.42656 8.85762 10.6192 4.90315 6.0664 4.95798 numMergedOcc 0
