0 mol 14 unq 0 iso 0 dist 9.31993 6.3453 9.6919 8.64855 5.51361 11.0036 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 6.3453 9.31993 9.6919 8.64855 11.0036 5.51361 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.19567 9.34433 12.662 6.84521 10.1001 12.3867 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 9.34433 7.19567 12.662 6.84521 12.3867 10.1001 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.19567 9.34433 12.662 8.90024 14.2671 12.0037 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 9.34433 7.19567 12.662 8.90024 12.0037 14.2671 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 7.19567 9.34433 12.662 6.78532 10.3556 6.9067 numMergedOcc 0
7 mol 43 unq 2 iso 1 dist 9.34433 7.19567 12.662 6.78532 6.9067 10.3556 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 8.71324 9.5663 7.89535 9.56181 9.73304 5.59762 numMergedOcc 0
9 mol 64 unq 0 iso 1 dist 9.5663 8.71324 7.89535 9.56181 5.59762 9.73304 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 9.16791 6.57452 11.6757 8.29727 8.77472 5.16822 numMergedOcc 0
11 mol 69 unq 0 iso 1 dist 6.57452 9.16791 11.6757 8.29727 5.16822 8.77472 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 7.90927 6.7095 12.2274 8.84131 9.9427 7.49575 numMergedOcc 0
13 mol 102 unq 0 iso 1 dist 6.7095 7.90927 12.2274 8.84131 7.49575 9.9427 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.18707 5.91786 5.54133 8.64107 5.74878 7.09627 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 5.91786 9.18707 5.54133 8.64107 7.09627 5.74878 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 9.18707 5.91786 5.54133 9.50575 11.7723 7.10772 numMergedOcc 0
17 mol 115 unq 1 iso 1 dist 5.91786 9.18707 5.54133 9.50575 7.10772 11.7723 numMergedOcc 0
18 mol 187 unq 0 iso 0 dist 9.55621 8.8048 12.8195 9.38169 4.98423 10.0429 numMergedOcc 0
19 mol 187 unq 0 iso 1 dist 8.8048 9.55621 12.8195 9.38169 10.0429 4.98423 numMergedOcc 0
20 mol 207 unq 0 iso 0 dist 5.65418 4.70143 6.28447 5.18312 6.32727 7.53149 numMergedOcc 0
21 mol 207 unq 0 iso 1 dist 4.70143 5.65418 6.28447 5.18312 7.53149 6.32727 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 8.80671 9.81411 9.43276 7.49412 6.81625 8.27017 numMergedOcc 0
23 mol 236 unq 0 iso 1 dist 9.81411 8.80671 9.43276 7.49412 8.27017 6.81625 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 6.93654 9.66298 4.70691 9.80409 13.3163 13.6041 numMergedOcc 0
25 mol 261 unq 0 iso 1 dist 9.66298 6.93654 4.70691 9.80409 13.6041 13.3163 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 6.20998 8.78219 10.1294 6.95233 5.98169 13.8919 numMergedOcc 0
27 mol 266 unq 0 iso 1 dist 8.78219 6.20998 10.1294 6.95233 13.8919 5.98169 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 6.20998 8.78219 10.1294 9.61741 13.6708 16.7981 numMergedOcc 0
29 mol 266 unq 1 iso 1 dist 8.78219 6.20998 10.1294 9.61741 16.7981 13.6708 numMergedOcc 0
30 mol 266 unq 2 iso 0 dist 6.20998 8.78219 10.1294 5.61056 10.2407 14.0884 numMergedOcc 0
31 mol 266 unq 2 iso 1 dist 8.78219 6.20998 10.1294 5.61056 14.0884 10.2407 numMergedOcc 0
32 mol 278 unq 0 iso 0 dist 7.74708 6.03414 5.29611 9.91518 4.69872 8.66976 numMergedOcc 0
33 mol 278 unq 0 iso 1 dist 6.03414 7.74708 5.29611 9.91518 8.66976 4.69872 numMergedOcc 0
34 mol 278 unq 1 iso 0 dist 7.74708 9.82026 13.6237 9.91518 4.69872 17.1306 numMergedOcc 0
35 mol 278 unq 1 iso 1 dist 9.82026 7.74708 13.6237 9.91518 17.1306 4.69872 numMergedOcc 0
36 mol 278 unq 1 iso 0 dist 6.03414 9.82026 8.63846 9.91518 8.66976 17.1306 numMergedOcc 0
37 mol 278 unq 1 iso 1 dist 9.82026 6.03414 8.63846 9.91518 17.1306 8.66976 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 8.64546 4.55639 7.98762 6.94723 6.0971 6.96139 numMergedOcc 0
39 mol 280 unq 0 iso 1 dist 4.55639 8.64546 7.98762 6.94723 6.96139 6.0971 numMergedOcc 0
40 mol 280 unq 1 iso 0 dist 3.97964 7.72152 7.98762 6.52188 6.0971 6.96139 numMergedOcc 0
41 mol 280 unq 1 iso 1 dist 7.72152 3.97964 7.98762 6.52188 6.96139 6.0971 numMergedOcc 0
