0 mol 11 unq 0 iso 0 dist 5.87616 6.27964 7.53641 4.37231 5.7435 6.79478 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.91627 5.76006 7.18195 6.7002 7.8865 11.2497 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.29367 5.272 5.56136 4.87741 6.89136 7.14934 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.07937 5.272 6.58799 14.9314 6.88695 12.7979 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.61226 8.51968 9.80682 7.19972 6.88974 13.4803 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 9.49676 7.98333 12.6215 6.12182 5.73067 12.6659 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 5.35101 6.89262 7.7624 7.71984 6.36193 12.9181 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 5.35101 6.89262 7.7624 4.67517 4.88613 10.671 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 5.35101 7.93406 7.63046 7.71984 6.36193 7.84983 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 5.35101 7.93406 7.63046 4.67517 4.88613 9.56737 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 8.68381 6.50646 7.7624 12.5529 6.36193 12.9181 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 8.68381 6.50646 7.7624 8.47822 4.88613 10.671 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 8.65313 9.97224 14.6641 8.19638 9.22002 16.7152 numMergedOcc 0
13 mol 61 unq 1 iso 0 dist 8.65313 9.97224 14.6641 7.43426 7.52103 17.053 numMergedOcc 0
14 mol 110 unq 0 iso 0 dist 5.36955 9.02174 6.72551 4.37283 8.181 12.2973 numMergedOcc 0
15 mol 110 unq 1 iso 0 dist 8.36172 7.67702 11.3462 5.33778 9.73174 5.25492 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 5.7232 9.18505 4.70999 8.76089 9.50322 12.7635 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 5.7232 9.18505 4.70999 6.80087 5.82404 10.4418 numMergedOcc 0
18 mol 176 unq 0 iso 0 dist 9.84843 8.12047 16.5596 7.62559 8.06326 12.9652 numMergedOcc 0
19 mol 185 unq 0 iso 0 dist 6.06763 9.20346 10.576 12.6996 9.878 17.8885 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 8.78916 8.62618 3.60144 8.07956 8.79558 6.76923 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 7.9801 4.61854 6.86949 12.195 7.117 13.2253 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 4.43243 6.02845 6.46022 5.03598 5.66569 9.90092 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 4.43243 9.35599 11.3284 5.03598 5.66569 14.0237 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 5.92025 6.02845 5.972 5.03598 6.11137 9.90092 numMergedOcc 0
25 mol 236 unq 3 iso 0 dist 5.92025 6.02845 5.972 5.6375 7.89744 9.31246 numMergedOcc 0
26 mol 236 unq 4 iso 0 dist 5.92025 9.35599 10.9042 5.03598 6.11137 14.0237 numMergedOcc 0
27 mol 236 unq 5 iso 0 dist 5.92025 9.35599 10.9042 5.6375 7.89744 11.0439 numMergedOcc 0
28 mol 236 unq 6 iso 0 dist 9.04819 6.02845 5.91643 5.6375 8.6417 9.31246 numMergedOcc 0
29 mol 236 unq 7 iso 0 dist 9.04819 9.35599 4.72317 5.6375 8.6417 11.0439 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.61428 5.59164 4.34203 5.77573 9.13537 6.83152 numMergedOcc 0
31 mol 241 unq 0 iso 0 dist 9.33399 9.744 5.37052 10.1832 9.10633 11.8952 numMergedOcc 0
32 mol 241 unq 1 iso 0 dist 9.33399 7.62827 4.58303 10.1832 9.10633 11.8978 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 8.62592 8.8726 3.95075 6.60345 5.73834 8.58088 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 8.93002 8.87598 5.30516 5.56656 8.06771 10.8647 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 6.83706 8.13376 4.77489 9.03495 6.42725 10.0766 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 9.83854 9.19106 13.5875 15.3375 7.04833 19.0698 numMergedOcc 0
37 mol 265 unq 1 iso 0 dist 6.98451 5.14122 4.86847 11.5105 9.772 13.4214 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 6.86805 9.84057 7.00525 4.97892 8.59986 12.6622 numMergedOcc 0
39 mol 266 unq 1 iso 0 dist 6.86805 7.87939 10.8888 4.97892 8.59986 12.1634 numMergedOcc 0
