0 mol 6 unq 0 iso 0 dist 6.30562 5.7654 8.07987 3.56565 7.96137 7.04508 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 9.00593 10.1165 5.32719 13.3238 8.75468 6.77926 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 9.00593 10.1165 5.32719 10.4507 7.62989 3.85555 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 9.00593 10.1165 5.32719 3.45063 5.70238 7.50035 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 9.00593 5.00029 7.03702 13.3238 8.75468 9.63176 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 9.00593 5.00029 7.03702 10.4507 7.62989 5.94896 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 9.00593 5.00029 7.03702 3.45063 5.70238 3.92369 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.53468 12.6627 8.39494 12.7709 8.59337 3.95066 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.53468 12.6627 8.39494 13.1304 7.66942 6.09246 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 5.90954 5.98483 8.39494 7.78675 8.59337 3.95066 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 5.90954 5.98483 8.39494 7.76917 7.66942 6.09246 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 7.81334 4.16711 7.95949 7.43211 6.97741 9.98038 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.42713 9.45097 8.16531 14.4533 6.46217 11.064 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 8.42713 16.4676 8.98593 14.4533 6.46217 4.45993 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 8.21032 13.7524 8.16531 3.24551 6.46217 11.064 numMergedOcc 0
15 mol 93 unq 3 iso 0 dist 8.21032 4.07972 8.98593 3.24551 6.46217 4.45993 numMergedOcc 0
16 mol 151 unq 0 iso 0 dist 5.87912 3.92946 7.28671 9.75631 9.06016 10.7097 numMergedOcc 0
17 mol 151 unq 1 iso 0 dist 7.06678 5.14768 7.28671 8.95545 9.06016 10.7097 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 6.92225 4.86148 6.64084 10.5886 8.06621 12.7673 numMergedOcc 0
19 mol 162 unq 0 iso 0 dist 8.48559 10.676 8.6792 10.5749 9.56342 7.05221 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 9.08628 16.2259 9.02096 16.2286 7.6741 3.92978 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 8.35581 8.07962 9.02096 10.3387 7.6741 3.92978 numMergedOcc 0
22 mol 175 unq 2 iso 0 dist 6.72569 5.22715 9.02096 7.28678 7.6741 3.92978 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 9.6309 8.60676 5.8679 8.71194 6.62738 10.7878 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 9.6309 8.60676 5.8679 5.07361 7.13254 9.19561 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 5.31079 9.69508 7.14271 6.66492 5.37154 5.48263 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 5.31079 4.74145 7.4083 6.66492 5.37154 10.9213 numMergedOcc 0
27 mol 220 unq 2 iso 0 dist 5.31079 3.57693 8.24411 6.66492 5.37154 7.63905 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 8.35521 15.2338 9.9704 10.0947 9.2182 7.82473 numMergedOcc 0
29 mol 233 unq 1 iso 0 dist 8.35521 4.82614 9.67749 10.0947 9.2182 8.96804 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 9.43554 6.49284 7.78686 7.81555 7.5999 11.4515 numMergedOcc 0
31 mol 250 unq 1 iso 0 dist 9.43554 6.49284 7.78686 9.41799 9.50976 11.6986 numMergedOcc 0
32 mol 250 unq 2 iso 0 dist 9.21681 12.4291 7.78686 16.7301 7.5999 11.4515 numMergedOcc 0
33 mol 250 unq 3 iso 0 dist 9.21681 12.4291 7.78686 16.2129 9.50976 11.6986 numMergedOcc 0
