0 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 6.58998 9.38831 8.24948 8.86116 5.97304 5.11636 6.72502 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 7.05402 7.31982 7.15901 10.5523 5.64171 4.96926 8.44903 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 5.48048 7.31982 7.15901 5.73819 5.64171 4.96926 8.44903 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 8.44903 6.66407 4.69849 5.64171 7.31982 7.24352 10.5523 7.05402 10.8828 9.93832 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 8.44903 6.66407 4.69849 5.64171 7.31982 7.24352 5.73819 5.48048 5.07458 8.60739 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 6.78038 9.02706 8.90959 10.1567 12.0448 4.99604 11.5121 10.0814 6.95317 6.43433 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 6.78038 9.02706 8.90959 10.1567 12.0448 4.99604 16.5915 14.5483 10.9279 9.92283 numMergedOcc 0
7 mol 112 unq 2 iso 0 dist 6.47042 8.47988 8.90959 8.56707 12.0448 4.99604 7.71338 10.0814 6.95317 6.43433 numMergedOcc 0
8 mol 112 unq 3 iso 0 dist 6.47042 8.47988 8.90959 8.56707 12.0448 4.99604 12.603 14.5483 10.9279 9.92283 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 4.99056 8.03035 9.57341 10.3704 4.91132 9.68677 7.77116 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 3.78311 8.03035 9.57341 8.73993 4.91132 9.68677 7.77116 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 6.37542 7.64052 9.64502 3.78311 7.6968 9.57341 8.73993 6.08167 9.68677 7.77116 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 7.2238 6.39031 7.1069 10.399 5.70788 4.94983 8.35555 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 8.28642 6.70693 4.71678 5.59336 6.39031 7.1069 5.87555 5.70788 4.94983 8.35555 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.48341 6.74196 9.0716 6.42798 12.5422 7.97027 12.6531 12.9631 9.01393 9.2581 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 8.48341 6.74196 9.0716 6.42798 12.5422 7.97027 11.8674 11.8285 13.3586 9.62632 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 8.48341 6.74196 9.0716 6.42798 12.5422 7.97027 6.00706 6.03524 8.84507 7.862 numMergedOcc 0
17 mol 222 unq 3 iso 0 dist 8.48341 8.36842 10.5383 6.42798 12.5422 4.9876 12.6531 12.9631 5.64455 9.2581 numMergedOcc 0
18 mol 222 unq 4 iso 0 dist 8.48341 8.36842 10.5383 6.42798 12.5422 4.9876 11.8674 11.8285 5.9478 9.62632 numMergedOcc 0
19 mol 222 unq 5 iso 0 dist 8.48341 8.36842 10.5383 6.42798 12.5422 4.9876 6.00706 6.03524 6.02502 7.862 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 4.76151 6.53728 9.87668 13.3684 11.5135 17.3148 8.87609 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 6.6561 9.09424 5.94765 4.76151 6.53728 8.42121 13.3684 11.5135 13.3773 8.87609 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 6.6561 8.14831 11.2847 4.76151 6.53728 4.98402 13.3684 11.5135 9.9875 8.87609 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 10.5813 9.56257 9.43618 7.22101 11.0628 5.0317 8.03442 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 5.4694 6.91318 7.3164 7.22396 9.56257 9.43618 8.65997 11.0628 5.0317 8.03442 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 10.7551 9.89583 6.53286 12.2442 14.1055 4.48415 5.52379 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 6.86945 7.15764 4.34126 13.9054 11.8525 9.39658 10.5136 6.28227 5.6214 6.11473 numMergedOcc 0
27 mol 252 unq 1 iso 0 dist 6.86945 7.15764 4.34126 7.63376 8.55481 5.9974 10.5136 6.28227 5.6214 6.53679 numMergedOcc 0
28 mol 252 unq 2 iso 0 dist 6.86945 7.15764 4.34126 7.63376 8.55481 5.9974 7.19638 5.25252 7.40852 7.50201 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 4.48907 5.74568 7.14086 10.4298 6.84156 11.4167 6.04162 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 7.52281 5.90924 7.36132 4.48907 5.74568 7.14086 9.90113 9.37297 13.2035 6.14323 numMergedOcc 0
31 mol 264 unq 2 iso 0 dist 6.42588 9.58916 7.36132 10.1591 5.74568 7.14086 12.864 6.84156 11.4167 6.04162 numMergedOcc 0
32 mol 264 unq 3 iso 0 dist 6.42588 9.58916 7.36132 10.1591 5.74568 7.14086 13.9815 9.37297 13.2035 6.14323 numMergedOcc 0
33 mol 264 unq 4 iso 0 dist 6.04162 9.19754 5.82131 6.84156 5.74568 6.02757 10.4298 4.48907 5.71153 7.52281 numMergedOcc 0
34 mol 264 unq 5 iso 0 dist 6.04162 9.19754 5.82131 6.84156 5.74568 6.02757 12.864 10.1591 6.56539 6.42588 numMergedOcc 0
35 mol 264 unq 6 iso 0 dist 6.14323 8.29262 5.82131 9.37297 5.74568 6.02757 9.90113 4.48907 5.71153 7.52281 numMergedOcc 0
36 mol 264 unq 7 iso 0 dist 6.14323 8.29262 5.82131 9.37297 5.74568 6.02757 13.9815 10.1591 6.56539 6.42588 numMergedOcc 0
