0 mol 11 unq 0 iso 0 dist 9.98578 8.24525 8.08367 10.5542 8.22997 5.97492 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 8.08367 8.24525 9.98578 5.97492 8.22997 10.5542 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 9.98578 4.67196 7.19061 10.5542 8.22997 9.79813 numMergedOcc 0
3 mol 11 unq 1 iso 1 dist 7.19061 4.67196 9.98578 9.79813 8.22997 10.5542 numMergedOcc 0
4 mol 11 unq 1 iso 0 dist 8.08367 5.84069 7.19061 5.97492 8.22997 9.79813 numMergedOcc 0
5 mol 11 unq 1 iso 1 dist 7.19061 5.84069 8.08367 9.79813 8.22997 5.97492 numMergedOcc 0
6 mol 11 unq 2 iso 0 dist 9.14139 5.39211 6.91808 12.577 8.40993 9.53437 numMergedOcc 0
7 mol 11 unq 2 iso 1 dist 6.91808 5.39211 9.14139 9.53437 8.40993 12.577 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.60396 11.2822 7.48969 10.6703 9.38335 4.14061 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 7.48969 11.2822 8.60396 4.14061 9.38335 10.6703 numMergedOcc 0
10 mol 55 unq 0 iso 0 dist 8.61209 6.07177 5.7638 4.31691 6.66861 6.96815 numMergedOcc 0
11 mol 55 unq 0 iso 1 dist 5.7638 6.07177 8.61209 6.96815 6.66861 4.31691 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 5.35101 5.11838 8.68381 4.7391 5.84625 4.35705 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 8.68381 5.11838 5.35101 4.35705 5.84625 4.7391 numMergedOcc 0
14 mol 62 unq 0 iso 0 dist 7.64177 7.33551 7.92027 9.54278 8.2746 6.71938 numMergedOcc 0
15 mol 62 unq 0 iso 1 dist 7.92027 7.33551 7.64177 6.71938 8.2746 9.54278 numMergedOcc 0
16 mol 62 unq 1 iso 0 dist 7.64177 4.48309 6.08756 9.54278 8.2746 5.31715 numMergedOcc 0
17 mol 62 unq 1 iso 1 dist 6.08756 4.48309 7.64177 5.31715 8.2746 9.54278 numMergedOcc 0
18 mol 62 unq 1 iso 0 dist 7.92027 6.2471 6.08756 6.71938 8.2746 5.31715 numMergedOcc 0
19 mol 62 unq 1 iso 1 dist 6.08756 6.2471 7.92027 5.31715 8.2746 6.71938 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 8.52947 10.1359 8.84466 14.4934 7.4518 16.0131 numMergedOcc 0
21 mol 93 unq 0 iso 1 dist 8.84466 10.1359 8.52947 16.0131 7.4518 14.4934 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 8.52947 10.1359 8.84466 11.7807 9.1687 11.7408 numMergedOcc 0
23 mol 93 unq 1 iso 1 dist 8.84466 10.1359 8.52947 11.7408 9.1687 11.7807 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 8.28452 11.2336 8.44004 5.58964 5.37302 12.297 numMergedOcc 0
25 mol 113 unq 0 iso 1 dist 8.44004 11.2336 8.28452 12.297 5.37302 5.58964 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 8.0302 4.21989 6.65051 6.13227 8.01453 5.50161 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 6.65051 4.21989 8.0302 5.50161 8.01453 6.13227 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 8.0302 8.75893 9.41519 6.13227 8.01453 9.59112 numMergedOcc 0
29 mol 141 unq 1 iso 1 dist 9.41519 8.75893 8.0302 9.59112 8.01453 6.13227 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 6.65051 4.95844 9.41519 5.50161 8.01453 9.59112 numMergedOcc 0
31 mol 141 unq 1 iso 1 dist 9.41519 4.95844 6.65051 9.59112 8.01453 5.50161 numMergedOcc 0
32 mol 233 unq 0 iso 0 dist 6.01193 4.36175 7.40749 6.3638 9.73592 6.52401 numMergedOcc 0
33 mol 233 unq 0 iso 1 dist 7.40749 4.36175 6.01193 6.52401 9.73592 6.3638 numMergedOcc 0
34 mol 247 unq 0 iso 0 dist 8.72346 13.6089 7.39069 5.81946 6.18065 11.7687 numMergedOcc 0
35 mol 247 unq 0 iso 1 dist 7.39069 13.6089 8.72346 11.7687 6.18065 5.81946 numMergedOcc 0
