0 mol 68 unq 0 iso 0 dist 9.8703 14.224 7.39665 9.37436 9.68196 10.0669 numMergedOcc 0
1 mol 68 unq 0 iso 1 dist 7.39665 14.224 9.8703 10.0669 9.68196 9.37436 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 5.99857 8.99811 6.9362 11.8246 8.42633 3.85648 numMergedOcc 0
3 mol 69 unq 0 iso 1 dist 6.9362 8.99811 5.99857 3.85648 8.42633 11.8246 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.73086 5.4148 7.4369 8.00278 8.95637 10.4159 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 7.4369 5.4148 9.73086 10.4159 8.95637 8.00278 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 8.27883 6.59884 7.7152 9.82384 7.64172 3.67426 numMergedOcc 0
7 mol 95 unq 0 iso 1 dist 7.7152 6.59884 8.27883 3.67426 7.64172 9.82384 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.7988 4.97527 9.40824 5.2438 5.64143 6.69579 numMergedOcc 0
9 mol 112 unq 0 iso 1 dist 9.40824 4.97527 7.7988 6.69579 5.64143 5.2438 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 7.7988 6.34999 4.22363 5.2438 5.64143 6.68847 numMergedOcc 0
11 mol 112 unq 1 iso 1 dist 4.22363 6.34999 7.7988 6.68847 5.64143 5.2438 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 9.40824 6.72751 4.22363 6.69579 5.64143 6.68847 numMergedOcc 0
13 mol 112 unq 1 iso 1 dist 4.22363 6.72751 9.40824 6.68847 5.64143 6.69579 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.95212 10.9871 6.99446 7.36889 4.22806 4.55137 numMergedOcc 0
15 mol 119 unq 0 iso 1 dist 6.99446 10.9871 8.95212 4.55137 4.22806 7.36889 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.95212 9.93257 7.64052 7.36889 4.22806 6.42493 numMergedOcc 0
17 mol 119 unq 1 iso 1 dist 7.64052 9.93257 8.95212 6.42493 4.22806 7.36889 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 6.99446 4.85907 7.64052 4.55137 4.22806 6.42493 numMergedOcc 0
19 mol 119 unq 1 iso 1 dist 7.64052 4.85907 6.99446 6.42493 4.22806 4.55137 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 6.42772 11.6064 9.1998 4.87167 5.35285 12.3235 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 9.1998 11.6064 6.42772 12.3235 5.35285 4.87167 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 6.42772 13.7309 8.70621 4.87167 5.35285 13.8191 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 8.70621 13.7309 6.42772 13.8191 5.35285 4.87167 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 9.33094 6.81259 8.69531 11.0384 6.71328 12.3235 numMergedOcc 0
25 mol 134 unq 2 iso 1 dist 8.69531 6.81259 9.33094 12.3235 6.71328 11.0384 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 9.1998 7.09823 8.70621 12.3235 5.35285 13.8191 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 8.70621 7.09823 9.1998 13.8191 5.35285 12.3235 numMergedOcc 0
28 mol 142 unq 0 iso 0 dist 7.81207 5.32922 6.14151 6.05056 7.80044 6.24222 numMergedOcc 0
29 mol 142 unq 0 iso 1 dist 6.14151 5.32922 7.81207 6.24222 7.80044 6.05056 numMergedOcc 0
30 mol 167 unq 0 iso 0 dist 6.84752 6.44246 7.86563 11.8729 9.12343 9.01215 numMergedOcc 0
31 mol 167 unq 0 iso 1 dist 7.86563 6.44246 6.84752 9.01215 9.12343 11.8729 numMergedOcc 0
32 mol 167 unq 1 iso 0 dist 6.84752 4.70068 7.02548 11.8729 9.12343 12.6156 numMergedOcc 0
33 mol 167 unq 1 iso 1 dist 7.02548 4.70068 6.84752 12.6156 9.12343 11.8729 numMergedOcc 0
34 mol 167 unq 1 iso 0 dist 7.86563 10.3445 7.02548 9.01215 9.12343 12.6156 numMergedOcc 0
35 mol 167 unq 1 iso 1 dist 7.02548 10.3445 7.86563 12.6156 9.12343 9.01215 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 8.90571 7.09479 6.61112 5.88779 7.54492 4.527 numMergedOcc 0
37 mol 186 unq 0 iso 1 dist 6.61112 7.09479 8.90571 4.527 7.54492 5.88779 numMergedOcc 0
38 mol 192 unq 0 iso 0 dist 5.64942 5.76246 6.97962 6.22871 8.70333 4.35125 numMergedOcc 0
39 mol 192 unq 0 iso 1 dist 6.97962 5.76246 5.64942 4.35125 8.70333 6.22871 numMergedOcc 0
40 mol 197 unq 0 iso 0 dist 9.10817 5.43601 6.86828 13.1412 8.53485 10.444 numMergedOcc 0
41 mol 197 unq 0 iso 1 dist 6.86828 5.43601 9.10817 10.444 8.53485 13.1412 numMergedOcc 0
42 mol 225 unq 0 iso 0 dist 8.1945 13.3965 6.50998 15.6387 9.12682 7.96183 numMergedOcc 0
43 mol 225 unq 0 iso 1 dist 6.50998 13.3965 8.1945 7.96183 9.12682 15.6387 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 5.23634 5.22356 6.91318 6.16261 8.60053 11.3848 numMergedOcc 0
45 mol 227 unq 0 iso 1 dist 6.91318 5.22356 5.23634 11.3848 8.60053 6.16261 numMergedOcc 0
46 mol 239 unq 0 iso 0 dist 6.73665 11.347 9.34438 11.1638 9.24224 17.8983 numMergedOcc 0
47 mol 239 unq 0 iso 1 dist 9.34438 11.347 6.73665 17.8983 9.24224 11.1638 numMergedOcc 0
48 mol 239 unq 1 iso 0 dist 6.73665 7.97994 9.35949 11.1638 9.24224 11.656 numMergedOcc 0
49 mol 239 unq 1 iso 1 dist 9.35949 7.97994 6.73665 11.656 9.24224 11.1638 numMergedOcc 0
50 mol 239 unq 1 iso 0 dist 9.34438 11.2636 9.35949 17.8983 9.24224 11.656 numMergedOcc 0
51 mol 239 unq 1 iso 1 dist 9.35949 11.2636 9.34438 11.656 9.24224 17.8983 numMergedOcc 0
52 mol 277 unq 0 iso 0 dist 5.13913 7.08227 6.92711 9.22087 9.80035 13.9518 numMergedOcc 0
53 mol 277 unq 0 iso 1 dist 6.92711 7.08227 5.13913 13.9518 9.80035 9.22087 numMergedOcc 0
