0 mol 32 unq 0 iso 0 dist 8.70934 5.91961 7.18766 8.88829 7.93694 8.68559 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 6.35945 4.72799 7.48825 10.12 6.68431 8.68559 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.62501 4.50806 6.5096 10.5281 5.3525 6.71911 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 9.09071 14.1272 7.38914 19.0491 10.0455 8.3586 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 7.83743 6.83232 7.36816 13.845 9.2907 8.71128 numMergedOcc 0
5 mol 114 unq 1 iso 0 dist 7.83743 6.83232 7.36816 9.81252 5.33327 7.52743 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 8.50625 6.35116 6.3244 10.8022 14.085 9.81878 numMergedOcc 0
7 mol 127 unq 1 iso 0 dist 8.97156 4.95538 6.3244 10.8674 8.00931 6.192 numMergedOcc 0
8 mol 127 unq 2 iso 0 dist 8.97156 4.95538 6.3244 10.8987 6.85862 7.69308 numMergedOcc 0
9 mol 127 unq 3 iso 0 dist 8.97156 4.95538 6.3244 10.5533 4.77464 8.59981 numMergedOcc 0
10 mol 127 unq 4 iso 0 dist 8.97156 4.95538 6.3244 11.3531 7.11695 7.66331 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.82363 5.29975 6.2135 11.5041 7.57216 6.93652 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 8.82363 5.29975 6.2135 12.3198 6.96143 9.54444 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 5.76702 6.38237 6.2135 11.6996 7.57216 6.93652 numMergedOcc 0
14 mol 141 unq 3 iso 0 dist 5.76702 6.38237 6.2135 11.4951 6.96143 9.54444 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 7.29635 12.5331 8.75834 14.3384 10.7506 5.50387 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 8.23463 6.4725 9.36396 9.30186 7.12954 5.50387 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.187 5.38513 6.152 14.6311 8.8709 9.62609 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 9.187 13.6352 7.95168 18.7534 13.3557 8.17891 numMergedOcc 0
19 mol 227 unq 2 iso 0 dist 9.187 13.6352 7.95168 14.6311 8.8709 6.95902 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 9.38859 6.99665 9.2911 9.39439 4.53103 9.43203 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 5.99388 5.04225 8.49841 7.17987 5.56749 9.5707 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 7.35524 5.47616 6.34801 10.4143 7.04058 7.39747 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 6.88731 6.59691 6.34801 10.9983 6.26168 7.20082 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 5.49652 5.89917 7.5746 10.6055 7.29657 7.52785 numMergedOcc 0
