0 mol 46 unq 0 iso 0 dist 7.12713 4.64633 3.77542 6.35731 3.57198 5.53419 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.80453 8.42234 9.05737 12.2074 7.06935 8.40186 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 7.03969 4.54851 8.88512 6.81867 5.80365 8.19958 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.82511 3.97203 7.7485 9.94405 3.56619 9.87699 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.61514 10.8634 6.67137 10.5372 5.22259 8.04853 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 8.21116 10.8634 7.04244 10.5372 7.66499 8.04853 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 6.06155 7.0652 8.71366 8.6701 9.11323 5.56839 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 6.06155 7.0652 8.71366 6.85457 8.52329 7.83506 numMergedOcc 0
8 mol 107 unq 0 iso 0 dist 4.99934 4.34186 8.19484 8.92347 8.49625 7.89505 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.27028 16.2029 7.02358 11.8917 3.52111 5.35711 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 6.38269 10.3017 5.31126 5.7085 6.29259 7.40338 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 6.38269 10.3017 5.31126 9.53105 8.17309 6.23759 numMergedOcc 0
12 mol 113 unq 3 iso 0 dist 7.11196 10.3017 7.16619 5.7085 7.08122 7.40338 numMergedOcc 0
13 mol 113 unq 4 iso 0 dist 7.11196 10.3017 7.16619 9.53105 9.30967 6.23759 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 7.49032 5.04742 8.78115 8.29394 4.10526 9.42762 numMergedOcc 0
15 mol 123 unq 1 iso 0 dist 7.49032 11.4019 8.03692 8.29394 4.10526 7.30244 numMergedOcc 0
16 mol 123 unq 2 iso 0 dist 7.04627 5.02162 8.78115 5.98534 4.10526 9.42762 numMergedOcc 0
17 mol 123 unq 3 iso 0 dist 7.04627 8.90549 8.03692 5.98534 4.10526 7.30244 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 5.24882 6.03327 4.3855 9.24791 4.5497 7.2932 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 8.47439 4.18108 5.28353 8.80059 3.73181 6.12453 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 9.3206 9.93901 5.10589 17.2161 14.1141 9.84538 numMergedOcc 0
21 mol 169 unq 1 iso 0 dist 6.18165 6.5732 5.10589 11.0179 6.28646 7.85698 numMergedOcc 0
22 mol 169 unq 2 iso 0 dist 6.18165 6.5732 5.10589 11.0816 7.83748 6.35799 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 9.3032 12.2934 5.10542 7.27978 3.7326 8.43182 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 8.10451 11.2635 5.10542 9.33397 3.7326 8.43182 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 6.6747 11.2635 4.68722 9.33397 7.29209 8.43182 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 6.28412 5.18799 4.68722 12.7833 7.29209 8.43182 numMergedOcc 0
