0 mol 19 unq 0 iso 0 dist 8.4674 6.10339 9.71584 4.44441 10.1278 8.96634 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 4.51865 6.10339 4.13497 4.44441 7.7312 8.96634 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.86116 6.48457 9.9259 13.2846 16.3188 7.18124 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.86116 6.48457 9.9259 12.3897 12.0986 6.47026 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.38394 6.48457 12.2071 13.2846 19.2143 7.18124 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.38394 6.48457 12.2071 12.3897 16.6275 6.47026 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 5.54419 8.80127 7.6222 6.7846 8.23075 7.18124 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 5.54419 8.80127 7.6222 8.03955 4.7841 6.47026 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 7.36323 8.80127 11.7026 6.7846 10.551 7.18124 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 7.36323 8.80127 11.7026 8.03955 14.1707 6.47026 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 8.8178 4.69674 5.83438 4.7874 11.4964 6.48394 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 9.96708 4.69674 11.8198 4.7874 14.6356 6.48394 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.97049 8.77199 5.46695 13.3089 12.1279 9.43843 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 7.97049 8.77199 5.46695 10.3737 9.90583 7.67463 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.47541 8.77199 11.3211 13.3089 14.5106 9.43843 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 7.47541 8.77199 11.3211 10.3737 15.0494 7.67463 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 7.95579 8.81824 6.62562 16.2205 14.7287 9.43843 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 7.95579 8.81824 6.62562 8.37717 9.01812 7.67463 numMergedOcc 0
18 mol 85 unq 6 iso 0 dist 6.19965 8.81824 5.46695 16.2205 12.1279 9.43843 numMergedOcc 0
19 mol 85 unq 7 iso 0 dist 6.19965 8.81824 5.46695 8.37717 9.90583 7.67463 numMergedOcc 0
20 mol 85 unq 8 iso 0 dist 7.66905 8.81824 11.3211 16.2205 14.5106 9.43843 numMergedOcc 0
21 mol 85 unq 9 iso 0 dist 7.66905 8.81824 11.3211 8.37717 15.0494 7.67463 numMergedOcc 0
22 mol 88 unq 0 iso 0 dist 9.36773 9.54952 11.9839 6.27514 10.7263 9.06249 numMergedOcc 0
23 mol 88 unq 1 iso 0 dist 8.31336 9.54952 10.6664 6.27514 12.2051 9.06249 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 7.2658 8.82395 7.85262 11.8395 15.3331 9.36638 numMergedOcc 0
25 mol 95 unq 1 iso 0 dist 7.27724 8.69749 14.2706 4.23405 11.0573 9.24005 numMergedOcc 0
26 mol 95 unq 2 iso 0 dist 7.27724 5.96576 11.0946 4.23405 11.0573 7.88846 numMergedOcc 0
27 mol 120 unq 0 iso 0 dist 6.44653 8.1671 4.98499 3.824 6.42623 9.43682 numMergedOcc 0
28 mol 120 unq 1 iso 0 dist 6.44653 8.1671 4.98499 4.96885 8.95899 8.0564 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 5.87555 8.86966 8.18329 4.73288 7.59457 7.78215 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 8.87437 5.7527 8.18329 4.70284 7.59457 7.78215 numMergedOcc 0
31 mol 152 unq 2 iso 0 dist 6.70283 8.86966 5.97115 4.73288 9.00072 7.78215 numMergedOcc 0
32 mol 152 unq 3 iso 0 dist 7.16148 5.7527 5.97115 4.70284 9.00072 7.78215 numMergedOcc 0
33 mol 152 unq 4 iso 0 dist 8.67331 8.86966 4.36394 4.73288 7.55419 7.78215 numMergedOcc 0
34 mol 152 unq 5 iso 0 dist 8.05741 5.7527 4.36394 4.70284 7.55419 7.78215 numMergedOcc 0
35 mol 178 unq 0 iso 0 dist 6.69288 8.4173 4.43082 4.69387 4.72821 6.53017 numMergedOcc 0
36 mol 178 unq 1 iso 0 dist 6.69288 8.4173 4.43082 13.6551 10.5218 8.83695 numMergedOcc 0
37 mol 178 unq 2 iso 0 dist 7.17202 6.55543 4.43082 7.39705 4.72821 6.53017 numMergedOcc 0
38 mol 178 unq 3 iso 0 dist 7.17202 6.55543 4.43082 4.02132 10.5218 8.83695 numMergedOcc 0
39 mol 182 unq 0 iso 0 dist 9.31746 9.07173 9.87473 6.1548 11.7531 8.58391 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 6.03031 7.23959 9.73907 6.49049 11.5794 8.42716 numMergedOcc 0
41 mol 205 unq 1 iso 0 dist 7.26832 7.23959 12.3578 6.49049 13.4668 8.42716 numMergedOcc 0
42 mol 205 unq 2 iso 0 dist 7.80463 7.23959 6.06996 6.49049 8.26637 8.42716 numMergedOcc 0
43 mol 206 unq 0 iso 0 dist 8.02137 6.11803 7.25848 3.56132 11.2388 9.24832 numMergedOcc 0
44 mol 206 unq 1 iso 0 dist 7.7366 9.73419 8.77621 4.46135 11.1153 9.24832 numMergedOcc 0
45 mol 206 unq 2 iso 0 dist 9.774 6.11803 8.77621 3.56132 11.1153 9.24832 numMergedOcc 0
46 mol 231 unq 0 iso 0 dist 7.37839 7.31553 6.58152 6.63423 7.3268 5.45266 numMergedOcc 0
47 mol 252 unq 0 iso 0 dist 7.19638 7.48298 6.56535 7.63636 10.5406 9.84342 numMergedOcc 0
48 mol 252 unq 1 iso 0 dist 7.19638 7.48298 6.56535 9.93981 12.9602 8.63893 numMergedOcc 0
49 mol 252 unq 2 iso 0 dist 7.19638 8.9483 4.51829 7.63636 10.5406 9.85159 numMergedOcc 0
50 mol 258 unq 0 iso 0 dist 6.97229 5.8473 6.87078 5.82277 12.3738 8.27566 numMergedOcc 0
51 mol 261 unq 0 iso 0 dist 9.14619 9.00426 15.4874 11.1348 18.8601 7.8647 numMergedOcc 0
