0 mol 0 unq 0 iso 0 dist 9.94618 6.94181 14.0556 8.65478 4.62434 14.554 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 9.79386 5.46849 12.6657 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.10175 6.54183 10.1356 9.63616 7.25076 15.3154 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.84699 6.10011 8.04817 5.7576 8.69689 3.85805 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 5.7576 8.69689 5.17781 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.40844 6.10011 9.76331 5.7576 8.0072 3.85805 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.40844 8.124 5.44275 5.7576 8.0072 5.17781 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 6.99156 6.10011 10.4402 5.7576 9.61302 3.85805 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 6.99156 8.124 8.0624 5.7576 9.61302 5.17781 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 9.68277 8.53393 9.74045 6.50622 4.90647 7.12219 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 9.68277 8.53393 9.74045 4.45433 7.30597 4.85618 numMergedOcc 0
11 mol 78 unq 2 iso 0 dist 9.68277 5.57265 10.1493 6.50622 4.90647 5.34874 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 9.68277 5.57265 10.1493 4.45433 7.30597 3.68023 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 8.88685 8.91446 10.7957 9.78342 11.0051 3.5172 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 8.87856 5.85841 6.83826 8.73798 11.2684 9.53244 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 8.87856 7.00285 9.94628 8.73798 11.2684 6.54016 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 6.2491 5.85841 9.30656 8.73798 4.05759 9.53244 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 6.2491 7.00285 5.39087 8.73798 4.05759 6.54016 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 3.59451 6.78839 9.30656 5.24616 4.05759 9.53244 numMergedOcc 0
19 mol 98 unq 5 iso 0 dist 3.59451 8.02354 5.39087 5.24616 4.05759 6.54016 numMergedOcc 0
20 mol 101 unq 0 iso 0 dist 9.1109 9.3485 7.53958 6.54699 5.42817 7.98263 numMergedOcc 0
21 mol 101 unq 1 iso 0 dist 5.51185 9.3485 4.79998 6.54699 4.19577 7.98263 numMergedOcc 0
22 mol 102 unq 0 iso 0 dist 7.73836 9.84673 6.42572 9.5434 8.94532 3.48119 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 5.24519 8.81172 6.29427 8.16392 5.11935 11.1642 numMergedOcc 0
24 mol 124 unq 0 iso 0 dist 5.61764 6.35314 5.31501 9.66083 8.5036 9.79481 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 9.98097 7.97349 7.20524 7.43045 4.45608 6.68984 numMergedOcc 0
26 mol 141 unq 1 iso 0 dist 9.98097 7.97349 7.20524 7.74168 12.8725 6.85035 numMergedOcc 0
27 mol 141 unq 2 iso 0 dist 9.98097 7.97349 7.20524 8.16507 10.9613 4.21243 numMergedOcc 0
28 mol 209 unq 0 iso 0 dist 8.65539 6.14896 7.49966 9.81506 9.41905 11.3631 numMergedOcc 0
29 mol 212 unq 0 iso 0 dist 6.41916 9.47932 9.7586 9.20546 4.29261 10.8008 numMergedOcc 0
30 mol 231 unq 0 iso 0 dist 6.73226 8.91036 11.548 6.8533 11.6438 6.63423 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 4.21935 6.83046 5.29737 7.99963 7.72768 4.32238 numMergedOcc 0
32 mol 249 unq 0 iso 0 dist 6.04688 7.72708 9.50161 5.7671 7.19269 5.57138 numMergedOcc 0
33 mol 265 unq 0 iso 0 dist 5.10595 5.3051 5.11366 8.57848 4.75288 5.94366 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 9.94705 6.36173 4.54581 8.90276 5.08779 6.91483 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 9.94705 6.36173 4.54581 8.15409 4.91864 4.36268 numMergedOcc 0
