0 mol 54 unq 0 iso 0 dist 8.66233 12.4716 9.5589 12.3075 6.83299 5.08001 numMergedOcc 0
1 mol 54 unq 0 iso 1 dist 8.66233 12.3075 6.83299 12.4716 9.5589 5.08001 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 8.66233 12.4716 9.5589 6.92468 8.10861 16.3192 numMergedOcc 0
3 mol 54 unq 1 iso 1 dist 8.66233 6.92468 8.10861 12.4716 9.5589 16.3192 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 8.66233 12.3075 6.83299 6.92468 8.10861 14.2075 numMergedOcc 0
5 mol 54 unq 1 iso 1 dist 8.66233 6.92468 8.10861 12.3075 6.83299 14.2075 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 5.88766 9.50681 9.5589 9.84851 6.83299 5.08001 numMergedOcc 0
7 mol 54 unq 2 iso 1 dist 5.88766 9.84851 6.83299 9.50681 9.5589 5.08001 numMergedOcc 0
8 mol 54 unq 3 iso 0 dist 5.88766 9.50681 9.5589 10.0995 8.10861 16.3192 numMergedOcc 0
9 mol 54 unq 3 iso 1 dist 5.88766 10.0995 8.10861 9.50681 9.5589 16.3192 numMergedOcc 0
10 mol 54 unq 3 iso 0 dist 5.88766 9.84851 6.83299 10.0995 8.10861 14.2075 numMergedOcc 0
11 mol 54 unq 3 iso 1 dist 5.88766 10.0995 8.10861 9.84851 6.83299 14.2075 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 8.3906 10.4426 6.85766 7.8601 7.71095 10.0246 numMergedOcc 0
13 mol 59 unq 0 iso 1 dist 8.3906 7.8601 7.71095 10.4426 6.85766 10.0246 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 6.47483 8.88301 7.88289 6.48294 9.01083 8.18643 numMergedOcc 0
15 mol 95 unq 0 iso 1 dist 6.47483 6.48294 9.01083 8.88301 7.88289 8.18643 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 7.91249 5.04286 5.08437 13.8365 6.48948 9.51923 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 7.91249 13.8365 6.48948 5.04286 5.08437 9.51923 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 7.91249 5.04286 5.08437 10.4243 6.10456 8.40073 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 7.91249 10.4243 6.10456 5.04286 5.08437 8.40073 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 7.91249 13.8365 6.48948 10.4243 6.10456 9.42358 numMergedOcc 0
21 mol 98 unq 1 iso 1 dist 7.91249 10.4243 6.10456 13.8365 6.48948 9.42358 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 7.94919 10.5282 5.08437 5.5392 6.48948 9.51923 numMergedOcc 0
23 mol 98 unq 2 iso 1 dist 7.94919 5.5392 6.48948 10.5282 5.08437 9.51923 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 7.94919 10.5282 5.08437 6.5508 6.10456 8.40073 numMergedOcc 0
25 mol 98 unq 3 iso 1 dist 7.94919 6.5508 6.10456 10.5282 5.08437 8.40073 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 7.94919 5.5392 6.48948 6.5508 6.10456 9.42358 numMergedOcc 0
27 mol 98 unq 3 iso 1 dist 7.94919 6.5508 6.10456 5.5392 6.48948 9.42358 numMergedOcc 0
28 mol 120 unq 0 iso 0 dist 6.68587 7.18082 8.75408 8.16257 6.44653 5.23036 numMergedOcc 0
29 mol 120 unq 0 iso 1 dist 6.68587 8.16257 6.44653 7.18082 8.75408 5.23036 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 5.47457 9.36947 8.22656 6.64892 6.82262 5.61668 numMergedOcc 0
31 mol 133 unq 0 iso 1 dist 5.47457 6.64892 6.82262 9.36947 8.22656 5.61668 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 8.16238 8.65428 5.6234 14.5429 9.92231 7.42466 numMergedOcc 0
33 mol 175 unq 0 iso 1 dist 8.16238 14.5429 9.92231 8.65428 5.6234 7.42466 numMergedOcc 0
34 mol 175 unq 1 iso 0 dist 9.88039 12.7327 9.0018 12.0917 5.6234 6.2715 numMergedOcc 0
35 mol 175 unq 1 iso 1 dist 9.88039 12.0917 5.6234 12.7327 9.0018 6.2715 numMergedOcc 0
36 mol 175 unq 2 iso 0 dist 9.88039 12.7327 9.0018 7.46731 6.57069 8.16421 numMergedOcc 0
37 mol 175 unq 2 iso 1 dist 9.88039 7.46731 6.57069 12.7327 9.0018 8.16421 numMergedOcc 0
38 mol 175 unq 2 iso 0 dist 9.88039 12.0917 5.6234 7.46731 6.57069 5.35493 numMergedOcc 0
39 mol 175 unq 2 iso 1 dist 9.88039 7.46731 6.57069 12.0917 5.6234 5.35493 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 8.26029 12.3287 5.78342 13.3966 9.16166 5.0744 numMergedOcc 0
41 mol 224 unq 0 iso 1 dist 8.26029 13.3966 9.16166 12.3287 5.78342 5.0744 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 8.26029 12.3287 5.78342 7.84931 5.81334 5.60236 numMergedOcc 0
43 mol 224 unq 1 iso 1 dist 8.26029 7.84931 5.81334 12.3287 5.78342 5.60236 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 8.26029 13.3966 9.16166 7.84931 5.81334 6.91102 numMergedOcc 0
45 mol 224 unq 1 iso 1 dist 8.26029 7.84931 5.81334 13.3966 9.16166 6.91102 numMergedOcc 0
46 mol 261 unq 0 iso 0 dist 5.93155 6.78647 9.14619 10.1923 8.45658 7.00201 numMergedOcc 0
47 mol 261 unq 0 iso 1 dist 5.93155 10.1923 8.45658 6.78647 9.14619 7.00201 numMergedOcc 0
48 mol 276 unq 0 iso 0 dist 8.55468 6.64954 9.8993 9.14525 6.87396 6.88557 numMergedOcc 0
49 mol 276 unq 0 iso 1 dist 8.55468 9.14525 6.87396 6.64954 9.8993 6.88557 numMergedOcc 0
