0 mol 62 unq 0 iso 0 dist 4.73829 8.1717 8.03385 5.12034 6.52537 12.5231 numMergedOcc 0
1 mol 113 unq 0 iso 0 dist 5.6738 6.38269 4.62493 10.3017 8.46167 5.31126 numMergedOcc 0
2 mol 113 unq 1 iso 0 dist 5.6738 6.38269 4.62493 10.3632 6.13175 4.49669 numMergedOcc 0
3 mol 113 unq 2 iso 0 dist 5.6738 6.38269 4.62493 9.86085 4.34107 6.00221 numMergedOcc 0
4 mol 113 unq 3 iso 0 dist 5.6738 7.11196 6.47997 10.3017 8.46167 7.16619 numMergedOcc 0
5 mol 113 unq 4 iso 0 dist 5.6738 7.11196 6.47997 10.3632 6.13175 5.88896 numMergedOcc 0
6 mol 113 unq 5 iso 0 dist 5.6738 7.11196 6.47997 9.86085 4.34107 7.84239 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 5.29259 8.18193 9.61655 6.06647 5.45716 13.4064 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 8.8413 7.49032 3.21474 5.04742 8.20345 8.78115 numMergedOcc 0
9 mol 123 unq 1 iso 0 dist 8.8413 7.49032 3.21474 11.4019 5.38148 8.03692 numMergedOcc 0
10 mol 123 unq 2 iso 0 dist 7.82124 7.04627 3.21474 5.02162 8.20345 8.78115 numMergedOcc 0
11 mol 123 unq 3 iso 0 dist 7.82124 7.04627 3.21474 8.90549 5.38148 8.03692 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 6.47837 6.18165 6.05322 6.5732 9.39809 5.10589 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 6.47837 6.18165 6.05322 4.14139 8.38775 4.63336 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 8.27087 6.32254 5.64063 7.69131 5.60333 9.09371 numMergedOcc 0
15 mol 176 unq 1 iso 0 dist 8.27087 6.32254 5.64063 5.25264 5.58647 6.85902 numMergedOcc 0
16 mol 176 unq 2 iso 0 dist 8.27087 6.32254 5.64063 9.38629 8.5733 10.081 numMergedOcc 0
17 mol 176 unq 3 iso 0 dist 7.71329 8.89556 5.64063 4.53563 5.60333 9.09371 numMergedOcc 0
18 mol 176 unq 4 iso 0 dist 7.71329 8.89556 5.64063 3.97245 5.58647 6.85902 numMergedOcc 0
19 mol 176 unq 5 iso 0 dist 7.71329 8.89556 5.64063 7.9617 8.5733 10.081 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 6.26195 8.86773 5.7139 3.57554 8.27566 11.7603 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 6.26195 8.95095 4.05528 3.57554 8.27566 9.53717 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 8.93788 7.51951 16.0845 8.51059 8.53393 12.0398 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 8.93788 7.51951 16.0845 7.79913 7.24165 12.3639 numMergedOcc 0
24 mol 270 unq 0 iso 0 dist 5.5609 8.53079 4.41063 3.9827 6.85081 10.9239 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 7.64453 7.96707 3.39991 15.6386 8.70479 10.9435 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.64453 7.96707 3.39991 15.6386 8.70479 10.9435 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.64453 7.96707 3.39991 15.6386 8.70479 10.9435 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 5.43095 4.97488 3.98487 9.94962 9.66129 10.9646 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 8.46523 8.80146 3.98487 6.14691 9.66129 10.9646 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 9.52749 9.32126 17.6548 4.63586 9.255 13.061 numMergedOcc 0
31 mol 294 unq 1 iso 0 dist 9.52749 9.38111 18.8418 4.63586 9.255 11.8214 numMergedOcc 0
32 mol 294 unq 2 iso 0 dist 9.52749 9.14005 15.3439 4.63586 9.255 13.4777 numMergedOcc 0
