0 mol 53 unq 0 iso 0 dist 7.57267 7.08383 5.13716 9.26043 11.8682 6.98616 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 7.57267 7.08383 5.13716 7.72123 6.43175 10.4874 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 5.12277 5.7638 4.19247 8.24934 10.1436 8.03646 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 5.12277 8.55679 6.83997 8.24934 10.1436 13.0255 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.4196 8.65313 10.0802 9.12873 9.39417 15.7879 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 7.61513 8.65313 11.6698 9.12873 5.30715 15.7879 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 9.23164 9.72287 13.0602 6.27017 7.27834 8.58468 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.52742 9.66549 13.8964 6.27877 4.75717 9.40128 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 8.42914 7.62621 4.23238 8.01351 10.1359 6.16048 numMergedOcc 0
9 mol 91 unq 1 iso 0 dist 8.42914 7.62621 4.23238 8.98201 12.3884 14.1282 numMergedOcc 0
10 mol 91 unq 2 iso 0 dist 8.42914 7.62621 4.23238 6.4026 8.18224 9.28675 numMergedOcc 0
11 mol 91 unq 3 iso 0 dist 8.17327 7.62621 6.31416 8.01351 11.3866 6.16048 numMergedOcc 0
12 mol 91 unq 4 iso 0 dist 8.17327 7.62621 6.31416 8.98201 12.7683 14.1282 numMergedOcc 0
13 mol 91 unq 5 iso 0 dist 8.17327 7.62621 6.31416 6.4026 9.97979 9.28675 numMergedOcc 0
14 mol 91 unq 6 iso 0 dist 9.52936 7.62621 4.23182 8.01351 9.36488 6.16048 numMergedOcc 0
15 mol 91 unq 7 iso 0 dist 9.52936 7.62621 4.23182 8.98201 15.773 14.1282 numMergedOcc 0
16 mol 91 unq 8 iso 0 dist 9.52936 7.62621 4.23182 6.4026 11.8427 9.28675 numMergedOcc 0
17 mol 104 unq 0 iso 0 dist 9.71834 7.45407 5.23957 9.0159 15.4887 11.1508 numMergedOcc 0
18 mol 104 unq 1 iso 0 dist 9.71834 7.45407 5.23957 5.46461 7.70689 5.87427 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 9.45085 4.87856 6.71387 7.39303 10.4606 10.6021 numMergedOcc 0
20 mol 124 unq 0 iso 0 dist 7.24083 8.48985 3.89739 8.40121 11.2378 9.90566 numMergedOcc 0
21 mol 124 unq 1 iso 0 dist 7.24083 8.48985 3.89739 9.09998 9.0109 5.84105 numMergedOcc 0
22 mol 132 unq 0 iso 0 dist 8.78382 8.94096 9.15324 5.52837 6.84485 7.71763 numMergedOcc 0
23 mol 132 unq 1 iso 0 dist 8.78382 7.64207 6.32317 5.52837 6.84485 7.53392 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 8.27008 9.86691 7.49664 8.72732 15.392 14.0828 numMergedOcc 0
25 mol 233 unq 0 iso 0 dist 6.28379 6.01193 6.63414 6.50096 7.15553 4.69192 numMergedOcc 0
26 mol 233 unq 1 iso 0 dist 9.29279 6.01193 6.16699 6.50096 10.2283 4.69192 numMergedOcc 0
27 mol 233 unq 2 iso 0 dist 8.91643 7.40749 6.63414 9.91416 7.15553 4.69192 numMergedOcc 0
28 mol 233 unq 3 iso 0 dist 8.79848 7.40749 6.16699 9.91416 10.2283 4.69192 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 6.08019 8.78758 7.42864 9.79758 11.0702 5.1526 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 9.5174 8.53542 9.73504 7.69328 15.2194 8.91353 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 9.5174 8.53542 9.73504 8.93979 7.34826 6.05412 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 9.74822 8.28068 7.85589 9.16563 5.96063 6.27944 numMergedOcc 0
