0 mol 7 unq 0 iso 0 dist 5.72491 9.67164 8.0744 12.2041 7.88043 5.99459 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.88043 5.99459 8.0744 12.2041 5.72491 9.67164 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 8.13395 8.60739 6.75943 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.60739 6.75943 4.55347 8.13395 9.93832 6.6263 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 7.55695 8.4312 5.71764 5.00018 8.82176 7.48086 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 8.82176 7.48086 5.71764 5.00018 7.55695 8.4312 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 8.07446 5.16364 5.61588 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 5.16364 5.61588 5.50891 8.07446 8.85586 5.5087 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.85586 6.08682 4.75954 8.07446 5.16364 7.83244 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 5.16364 7.83244 4.75954 8.07446 8.85586 6.08682 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.04044 9.73086 7.8972 5.4148 8.73253 7.4369 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 8.73253 7.4369 7.8972 5.4148 7.04044 9.73086 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 6.78038 9.02706 8.90959 4.8896 6.47042 8.47988 numMergedOcc 0
13 mol 112 unq 0 iso 1 dist 6.47042 8.47988 8.90959 4.8896 6.78038 9.02706 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 6.78038 9.39168 4.4941 4.8896 6.47042 8.0427 numMergedOcc 0
15 mol 112 unq 1 iso 1 dist 6.47042 8.0427 4.4941 4.8896 6.78038 9.39168 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 4.85907 8.56342 7.64052 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 8.56342 7.64052 6.29394 4.85907 7.99857 6.99446 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 5.62899 8.20836 7.21868 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 8.20836 7.21868 4.935 5.62899 7.36779 9.66543 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 7.65448 8.28642 6.70693 numMergedOcc 0
21 mol 152 unq 0 iso 1 dist 8.28642 6.70693 4.71678 7.65448 9.77552 6.59889 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 6.29367 8.75536 6.57708 4.72474 5.76954 7.33709 numMergedOcc 0
23 mol 218 unq 0 iso 1 dist 5.76954 7.33709 6.57708 4.72474 6.29367 8.75536 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 6.29367 8.75536 6.57708 6.17651 9.20961 6.67404 numMergedOcc 0
25 mol 218 unq 1 iso 1 dist 9.20961 6.67404 6.57708 6.17651 6.29367 8.75536 numMergedOcc 0
26 mol 218 unq 2 iso 0 dist 8.86175 8.75536 13.4147 4.72474 6.29511 7.33709 numMergedOcc 0
27 mol 218 unq 2 iso 1 dist 6.29511 7.33709 13.4147 4.72474 8.86175 8.75536 numMergedOcc 0
28 mol 218 unq 1 iso 0 dist 5.76954 7.33709 6.57708 5.61978 9.20961 6.67404 numMergedOcc 0
29 mol 218 unq 1 iso 1 dist 9.20961 6.67404 6.57708 5.61978 5.76954 7.33709 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 5.22356 5.4694 6.91318 numMergedOcc 0
31 mol 227 unq 0 iso 1 dist 5.4694 6.91318 7.3164 5.22356 8.38865 5.23634 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 8.92743 7.27993 6.93188 7.0298 5.77318 6.95201 numMergedOcc 0
33 mol 229 unq 0 iso 1 dist 5.77318 6.95201 6.93188 7.0298 8.92743 7.27993 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 8.55558 5.85442 7.32929 9.98105 8.59697 6.9899 numMergedOcc 0
35 mol 259 unq 0 iso 1 dist 8.59697 6.9899 7.32929 9.98105 8.55558 5.85442 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 numMergedOcc 0
37 mol 264 unq 0 iso 1 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 numMergedOcc 0
38 mol 264 unq 1 iso 0 dist 6.04162 9.19754 5.82131 4.92077 6.14323 8.29262 numMergedOcc 0
39 mol 264 unq 1 iso 1 dist 6.14323 8.29262 5.82131 4.92077 6.04162 9.19754 numMergedOcc 0
