0 mol 37 unq 0 iso 0 dist 7.77333 7.86029 7.05769 12.3846 15.5011 9.25986 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 9.72287 6.27017 8.58468 7.95967 15.2632 9.86958 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 7.62621 8.01351 6.16048 7.97927 10.8851 5.78962 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 9.42444 8.10965 9.03322 4.76694 11.871 7.81042 numMergedOcc 0
4 mol 103 unq 1 iso 0 dist 9.64736 8.10965 5.86578 4.76694 11.9113 7.81042 numMergedOcc 0
5 mol 104 unq 0 iso 0 dist 7.45407 9.0159 11.1508 4.96991 10.7079 5.90762 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 7.25497 7.99359 5.8424 11.3887 13.0171 9.86842 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 8.94096 5.52837 7.71763 9.98904 14.8819 8.15549 numMergedOcc 0
8 mol 132 unq 1 iso 0 dist 7.64207 5.52837 7.53392 9.98904 12.8674 8.15549 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.86691 8.72732 14.0828 10.5918 16.9398 5.12189 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.86691 8.72732 14.0828 5.48547 6.85651 7.50126 numMergedOcc 0
11 mol 146 unq 0 iso 0 dist 5.3184 6.70014 11.6962 7.8992 11.5599 5.36826 numMergedOcc 0
12 mol 146 unq 1 iso 0 dist 5.3184 6.70014 11.6962 11.0704 13.5622 8.50225 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.30966 4.95077 5.3105 4.14546 10.4288 6.4737 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 7.69136 5.83952 5.3105 5.5864 10.4288 6.4737 numMergedOcc 0
15 mol 152 unq 2 iso 0 dist 9.30912 5.83952 5.82905 5.5864 12.0498 6.4737 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 9.38623 7.04009 5.44954 6.20034 12.7444 9.82329 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 9.99743 8.87968 7.46995 11.3263 13.1027 5.97008 numMergedOcc 0
18 mol 217 unq 0 iso 0 dist 9.51059 8.29482 4.10975 4.89824 8.79299 6.01666 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 7.38022 5.51354 5.55907 4.80435 11.6122 9.86417 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 8.09021 8.43749 9.91968 13.7732 10.3071 9.56472 numMergedOcc 0
21 mol 265 unq 1 iso 0 dist 8.09021 8.43749 9.91968 11.9238 14.648 6.5072 numMergedOcc 0
22 mol 265 unq 2 iso 0 dist 8.09021 8.43749 9.91968 6.97261 11.5231 4.03921 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 6.86805 9.70632 6.31111 12.8161 13.2523 9.58577 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 9.8678 9.4961 17.1354 10.3186 15.056 8.12204 numMergedOcc 0
25 mol 266 unq 2 iso 0 dist 8.00278 9.4961 14.487 10.3186 10.8326 8.12204 numMergedOcc 0
26 mol 266 unq 3 iso 0 dist 9.10275 7.07099 10.5702 14.7313 12.9065 9.63694 numMergedOcc 0
27 mol 266 unq 4 iso 0 dist 9.10275 7.07099 10.5702 7.14057 15.056 6.58277 numMergedOcc 0
28 mol 266 unq 5 iso 0 dist 9.10275 8.3978 17.1354 7.14057 15.056 8.12204 numMergedOcc 0
29 mol 266 unq 6 iso 0 dist 6.13722 7.07099 6.1113 14.7313 10.0039 9.63694 numMergedOcc 0
30 mol 266 unq 7 iso 0 dist 6.13722 7.07099 6.1113 7.14057 10.8326 6.58277 numMergedOcc 0
31 mol 266 unq 8 iso 0 dist 6.13722 8.3978 14.487 7.14057 10.8326 8.12204 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 8.53542 8.93979 6.05412 7.27711 9.71653 8.57035 numMergedOcc 0
33 mol 283 unq 0 iso 0 dist 8.28068 9.16563 6.27944 5.08363 8.80418 7.88405 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 7.75212 9.04355 9.33717 14.8194 16.2259 8.0935 numMergedOcc 0
35 mol 287 unq 1 iso 0 dist 7.90634 9.04355 5.66584 14.8194 12.4464 8.0935 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 7.75212 9.04355 9.33717 14.8194 16.2259 8.0935 numMergedOcc 0
37 mol 288 unq 1 iso 0 dist 7.90634 9.04355 5.66584 14.8194 12.4464 8.0935 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 7.75212 9.04355 9.33717 14.8194 16.2259 8.0935 numMergedOcc 0
39 mol 289 unq 1 iso 0 dist 7.90634 9.04355 5.66584 14.8194 12.4464 8.0935 numMergedOcc 0
