0 mol 39 unq 0 iso 0 dist 6.41793 7.99016 3.52812 6.3982 5.27182 8.54587 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 6.41793 6.50101 5.09114 6.3982 5.27182 9.12545 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 6.50101 7.99016 5.02447 6.3982 9.12545 8.54587 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 6.50101 6.41793 5.09114 6.3982 9.12545 5.27182 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.04168 5.70907 9.61175 9.34648 8.7515 11.1337 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 5.70907 8.04168 9.61175 4.4921 8.51259 10.0103 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 6.98037 6.9223 6.02822 8.11408 9.99441 13.7026 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 5.71763 7.8435 13.3531 7.92049 7.23305 11.9048 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 5.71763 5.99269 10.7398 7.92049 7.23305 10.293 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 7.27506 8.48088 6.12906 4.21171 8.75345 11.3162 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 5.43933 9.97483 5.20124 10.4065 6.96745 9.84243 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 5.43933 4.99604 6.86881 10.4065 6.96745 10.1168 numMergedOcc 0
12 mol 112 unq 2 iso 0 dist 5.43933 7.44041 9.41803 10.4065 6.96745 16.2365 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.48313 6.99345 6.05407 11.1905 5.78982 11.4619 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.48313 5.11043 10.5379 11.1905 5.78982 14.9378 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 5.11043 8.48313 10.5379 4.935 8.62504 12.2382 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 5.11043 6.99345 5.83782 4.935 8.62504 11.2397 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 8.68663 7.16698 9.42812 15.2605 9.29944 18.3984 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.04815 6.07389 6.05141 5.40422 5.67168 5.86483 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 6.07389 7.04815 6.05141 6.81727 8.36129 9.17755 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 6.07389 7.04815 6.05141 5.40422 5.86483 5.67168 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 6.34234 7.87972 10.558 10.9712 8.22795 17.8773 numMergedOcc 0
22 mol 195 unq 1 iso 0 dist 7.87972 6.34234 10.558 8.68163 6.396 14.0891 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 7.8744 9.87668 16.7885 6.05548 9.3502 12.7232 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 7.8744 8.42121 14.5755 6.05548 9.3502 13.9849 numMergedOcc 0
25 mol 225 unq 2 iso 0 dist 7.8744 4.98402 8.90802 6.05548 9.3502 6.46405 numMergedOcc 0
26 mol 225 unq 3 iso 0 dist 4.98402 9.87668 13.7858 6.05548 6.46405 12.7232 numMergedOcc 0
27 mol 225 unq 4 iso 0 dist 4.98402 8.42121 11.2712 6.05548 6.46405 13.9849 numMergedOcc 0
28 mol 225 unq 5 iso 0 dist 4.98402 7.8744 8.90802 6.05548 6.46405 9.3502 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 6.02757 8.67231 5.23295 7.36132 9.78237 9.95798 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 8.67231 6.02757 5.23295 7.36132 9.95798 9.78237 numMergedOcc 0
31 mol 284 unq 0 iso 0 dist 9.07503 7.63256 4.7381 5.69778 9.69019 10.3245 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 9.2558 9.84946 3.57128 11.4284 9.23612 11.928 numMergedOcc 0
