0 mol 34 unq 0 iso 0 dist 9.58596 12.3532 4.58552 11.6541 3.39994 7.01952 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 6.41793 6.3982 5.27182 10.6586 5.11276 9.75289 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 6.41793 6.3982 5.27182 6.50101 5.09114 9.12545 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 6.50101 6.3982 9.12545 6.41793 5.09114 5.27182 numMergedOcc 0
4 mol 39 unq 3 iso 0 dist 6.50101 6.3982 9.12545 10.6586 5.69451 9.75289 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 7.15901 4.69849 8.34145 11.8517 12.7961 9.50614 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 5.07125 12.931 9.47401 9.72022 6.59528 5.76961 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 8.04168 9.34648 8.7515 13.133 6.48468 8.64934 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 7.27506 4.21171 8.75345 10.4287 17.5596 9.79643 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.48313 11.1905 5.78982 12.1815 4.87973 8.14226 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 7.04815 5.40422 5.67168 8.4959 5.14122 7.74579 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 7.04815 5.40422 5.67168 6.07389 6.05141 5.86483 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 6.07389 5.40422 5.86483 7.04815 6.05141 5.67168 numMergedOcc 0
13 mol 186 unq 3 iso 0 dist 6.07389 5.40422 5.86483 8.4959 3.51591 7.74579 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 8.21997 6.28124 8.25329 9.29924 5.97842 4.85332 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 8.69811 6.37008 6.46405 15.0516 8.90802 9.3502 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 8.69811 6.37008 6.46405 13.2791 9.25318 9.34821 numMergedOcc 0
17 mol 225 unq 2 iso 0 dist 7.8744 6.05548 9.3502 12.6753 11.1622 9.34821 numMergedOcc 0
18 mol 225 unq 3 iso 0 dist 7.8744 6.05548 9.3502 4.98402 8.90802 6.46405 numMergedOcc 0
19 mol 225 unq 4 iso 0 dist 4.98402 6.05548 6.46405 7.8744 8.90802 9.3502 numMergedOcc 0
20 mol 225 unq 5 iso 0 dist 4.98402 6.05548 6.46405 12.6753 9.25318 9.34821 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 5.28771 7.3164 6.09335 10.5857 5.30101 8.85955 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 9.11454 10.0222 6.03081 11.9508 4.8835 5.1874 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 6.02757 7.36132 9.78237 11.9664 8.39725 9.70101 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 6.02757 7.36132 9.78237 8.67231 5.23295 9.95798 numMergedOcc 0
25 mol 264 unq 2 iso 0 dist 8.67231 7.36132 9.95798 6.02757 5.23295 9.78237 numMergedOcc 0
26 mol 264 unq 3 iso 0 dist 8.67231 7.36132 9.95798 11.9664 6.00586 9.70101 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.2558 11.4284 9.23612 14.1131 5.93352 8.1635 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 9.2558 11.4284 9.23612 11.9946 4.99426 6.22943 numMergedOcc 0
