0 mol 7 unq 0 iso 0 dist 9.8603 16.6461 9.67164 20.3971 12.2041 5.99459 19.4516 10.5461 6.88805 8.41585 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 4.7739 5.99459 13.5184 12.2041 9.67164 15.637 12.2333 13.156 7.10621 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.76968 5.36195 8.43054 8.8641 6.92781 6.57331 4.2139 6.31718 4.65873 5.05803 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.40051 13.591 9.48085 8.6396 10.9391 9.49421 5.8503 11.9561 13.6145 5.04899 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.6396 13.591 9.49421 8.40051 10.9391 9.48085 13.466 12.7009 5.18617 7.57578 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 8.6396 13.591 9.49421 8.40051 10.9391 9.48085 14.4191 12.8117 5.68041 7.17969 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.36193 4.99692 9.22598 4.88613 4.81926 8.96727 5.40367 6.62496 9.87158 6.35756 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 4.88613 4.99692 8.96727 6.36193 4.81926 9.22598 5.40367 6.35756 9.87158 6.62496 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.18305 5.65986 7.4369 11.0671 5.4148 9.73086 4.69583 6.19304 5.70116 9.96396 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.18305 5.65986 7.4369 11.0671 5.4148 9.73086 15.7901 10.2049 17.4121 9.38498 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.18305 5.65986 7.4369 11.0671 5.4148 9.73086 15.8603 11.6369 14.844 9.75218 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 8.06168 10.8798 5.61588 15.4463 8.07446 5.5087 22.0317 16.0098 11.2069 8.70481 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 8.06168 13.7267 7.83244 15.4463 8.07446 6.08682 22.0317 16.0098 10.6713 8.70481 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 8.67532 10.8441 5.61588 12.1964 8.07446 5.5087 19.3492 16.0098 11.2069 8.70481 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 8.67532 15.2203 7.83244 12.1964 8.07446 6.08682 19.3492 16.0098 10.6713 8.70481 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.02717 12.6105 9.42082 12.5189 7.69052 6.39384 6.75472 5.83991 6.63111 9.33865 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.02717 12.6105 9.42082 12.5189 7.69052 6.39384 11.0268 7.88312 6.07067 6.11741 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 6.18763 5.92411 8.95212 8.44385 10.9871 6.99446 12.1192 13.9919 6.20019 9.87172 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 6.18763 5.92411 8.95212 5.63005 9.93257 7.64052 10.5268 16.4353 9.68677 8.73993 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 8.44385 5.92411 6.99446 6.18763 10.9871 8.95212 5.3154 10.1813 4.39676 6.18601 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 8.44385 5.92411 6.99446 5.63005 4.85907 7.64052 10.5268 10.3704 9.68677 8.73993 numMergedOcc 0
21 mol 119 unq 4 iso 0 dist 5.63005 5.92411 7.64052 6.18763 9.93257 8.95212 5.3154 9.72413 4.39676 6.18601 numMergedOcc 0
22 mol 119 unq 5 iso 0 dist 5.63005 5.92411 7.64052 8.44385 4.85907 6.99446 12.1192 12.6489 6.20019 9.87172 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 9.92932 3.76211 7.21868 9.60411 5.49782 7.93372 10.5108 8.94367 8.06642 6.37586 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 9.92932 3.76211 7.21868 9.60411 5.49782 7.93372 6.20443 9.86662 4.00092 9.71307 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 9.60411 3.76211 7.93372 9.92932 5.49782 7.21868 10.5108 6.37586 8.06642 8.94367 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 9.60411 3.76211 7.93372 9.92932 5.49782 7.21868 6.20443 9.71307 4.00092 9.86662 numMergedOcc 0
27 mol 134 unq 4 iso 0 dist 9.60369 4.63732 9.66543 9.55556 5.62899 7.21868 11.9294 11.7385 8.06642 8.94367 numMergedOcc 0
28 mol 134 unq 5 iso 0 dist 9.60369 4.63732 9.66543 9.55556 5.62899 7.21868 6.36794 11.3835 4.00092 9.86662 numMergedOcc 0
29 mol 134 unq 6 iso 0 dist 9.60369 4.63732 9.66543 12.1043 10.7144 7.93372 11.9294 11.7385 8.06642 6.37586 numMergedOcc 0
30 mol 134 unq 7 iso 0 dist 9.60369 4.63732 9.66543 12.1043 10.7144 7.93372 6.36794 11.3835 4.00092 9.71307 numMergedOcc 0
31 mol 134 unq 8 iso 0 dist 9.55556 4.63732 7.21868 12.1043 5.49782 7.93372 11.9294 8.94367 8.06642 6.37586 numMergedOcc 0
32 mol 134 unq 9 iso 0 dist 9.55556 4.63732 7.21868 12.1043 5.49782 7.93372 6.36794 9.86662 4.00092 9.71307 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.58911 17.3349 8.59874 9.86845 6.01247 9.76212 9.47799 9.94371 12.9532 9.1374 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.58911 17.3349 8.59874 9.86845 6.01247 9.76212 17.6006 10.9639 6.50233 8.03334 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 7.41378 4.76079 5.05973 10.8641 11.5866 9.01624 4.3226 9.81747 5.71898 7.81386 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 7.41378 4.76079 5.05973 10.8641 11.5866 9.01624 10.2384 9.11469 5.93724 7.63312 numMergedOcc 0
37 mol 186 unq 0 iso 0 dist 8.96988 3.6848 8.90571 9.44405 7.09479 6.61112 14.7094 14.4482 11.0961 7.54065 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 8.6537 3.72432 7.27993 5.57702 7.0298 6.95201 6.21233 11.6115 4.61227 9.87838 numMergedOcc 0
39 mol 229 unq 1 iso 0 dist 8.75374 3.72432 9.51168 8.6537 5.1556 7.27993 8.65216 11.3979 5.70473 8.22528 numMergedOcc 0
40 mol 229 unq 2 iso 0 dist 8.75374 3.72432 9.51168 8.6537 5.1556 7.27993 10.7439 11.9282 7.22525 7.03423 numMergedOcc 0
41 mol 229 unq 3 iso 0 dist 8.75374 3.72432 9.51168 5.57702 6.54885 6.95201 6.21233 13.9028 4.61227 9.87838 numMergedOcc 0
42 mol 229 unq 4 iso 0 dist 5.57702 3.72432 6.95201 8.6537 7.0298 7.27993 8.65216 11.7165 5.70473 8.22528 numMergedOcc 0
43 mol 229 unq 5 iso 0 dist 5.57702 3.72432 6.95201 8.6537 7.0298 7.27993 10.7439 11.4362 7.22525 7.03423 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 5.90645 9.54522 9.07743 9.73107 4.69778 7.66153 10.4985 8.13497 8.8603 7.88519 numMergedOcc 0
45 mol 259 unq 1 iso 0 dist 5.90645 9.54522 9.07743 9.73107 4.69778 7.66153 12.0753 9.95973 5.8801 7.84554 numMergedOcc 0
46 mol 259 unq 2 iso 0 dist 5.90645 9.54522 9.07743 9.73107 4.69778 7.66153 15.2324 10.3935 11.8896 7.46176 numMergedOcc 0
47 mol 259 unq 3 iso 0 dist 5.90645 9.54522 9.07743 9.73107 4.69778 7.66153 14.9117 12.6839 5.81576 9.18903 numMergedOcc 0
48 mol 259 unq 4 iso 0 dist 8.06771 9.0675 9.46361 11.1503 6.96053 6.95511 9.79538 7.88519 11.6988 7.46176 numMergedOcc 0
49 mol 259 unq 5 iso 0 dist 9.54857 5.49348 5.85442 9.56653 9.98105 6.9899 10.0253 11.858 7.09907 5.30224 numMergedOcc 0
50 mol 259 unq 6 iso 0 dist 9.54857 5.13138 6.95511 14.0139 6.96053 9.46361 16.7125 10.3935 12.2293 8.13497 numMergedOcc 0
51 mol 259 unq 7 iso 0 dist 9.54857 5.13138 6.95511 14.0139 6.96053 9.46361 15.3806 7.46176 11.6988 7.88519 numMergedOcc 0
52 mol 259 unq 8 iso 0 dist 6.42725 6.09466 6.9899 9.73341 9.98105 5.85442 15.0854 12.0576 10.067 7.46176 numMergedOcc 0
53 mol 277 unq 0 iso 0 dist 9.77689 17.8399 9.57499 19.3912 11.8268 8.9682 28.0134 21.4606 17.6038 9.7748 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 8.51931 6.17642 9.57499 9.71491 11.8268 8.9682 18.2164 21.4606 17.6038 9.7748 numMergedOcc 0
55 mol 277 unq 2 iso 0 dist 8.96343 6.17642 5.46926 9.71491 7.08227 8.9682 18.2164 16.3537 17.6038 9.7748 numMergedOcc 0
56 mol 277 unq 3 iso 0 dist 8.96343 8.24206 5.13913 9.71491 7.08227 6.92711 18.2164 16.3537 14.772 9.7748 numMergedOcc 0
