0 mol 7 unq 0 iso 0 dist 9.34656 17.5535 9.97624 16.3136 8.81608 5.5683 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.25905 15.137 8.80193 16.1629 9.35863 3.84273 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.25905 15.137 8.80193 6.82841 5.04478 11.0746 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 4.82549 7.9574 6.93185 10.0518 9.35562 3.76294 numMergedOcc 0
4 mol 21 unq 1 iso 0 dist 4.82549 7.9574 6.93185 6.53652 8.63857 12.9404 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 8.50453 13.9319 8.90835 6.9246 8.38156 10.4006 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 8.50453 13.9319 8.90835 12.5287 7.79336 7.68459 numMergedOcc 0
7 mol 34 unq 2 iso 0 dist 8.50453 13.9319 8.90835 13.6582 7.08559 5.70782 numMergedOcc 0
8 mol 34 unq 3 iso 0 dist 6.74716 10.1375 8.90835 8.09738 8.38156 10.4006 numMergedOcc 0
9 mol 34 unq 4 iso 0 dist 6.74716 10.1375 8.90835 7.48264 7.79336 7.68459 numMergedOcc 0
10 mol 34 unq 5 iso 0 dist 6.74716 10.1375 8.90835 9.18464 7.08559 5.70782 numMergedOcc 0
11 mol 62 unq 0 iso 0 dist 4.89196 5.40878 6.04903 7.751 9.1062 4.09232 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.94447 15.0577 7.33541 11.2557 5.29949 11.0969 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 5.43229 11.6661 7.70313 9.02908 8.0168 10.3264 numMergedOcc 0
14 mol 126 unq 0 iso 0 dist 6.35364 11.4029 7.36017 10.6053 8.7789 3.9234 numMergedOcc 0
15 mol 126 unq 1 iso 0 dist 6.35364 11.4029 7.36017 13.8413 9.93613 5.50104 numMergedOcc 0
16 mol 126 unq 2 iso 0 dist 6.35364 7.05454 5.14819 10.6053 8.7789 6.1079 numMergedOcc 0
17 mol 126 unq 3 iso 0 dist 6.35364 7.05454 5.14819 13.8413 9.93613 7.02562 numMergedOcc 0
18 mol 126 unq 4 iso 0 dist 6.35364 4.95023 6.84245 10.6053 8.7789 9.58426 numMergedOcc 0
19 mol 126 unq 5 iso 0 dist 6.35364 4.95023 6.84245 13.8413 9.93613 11.1195 numMergedOcc 0
20 mol 128 unq 0 iso 0 dist 6.12126 7.00257 7.75012 5.61773 6.47811 10.5938 numMergedOcc 0
21 mol 128 unq 1 iso 0 dist 6.12126 9.63076 6.98158 5.61773 6.47811 5.91388 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 4.95674 5.5502 7.41399 7.44092 8.55349 11.4316 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 4.95674 5.05981 8.21165 7.44092 8.55349 12.3375 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 4.95674 6.85825 8.97945 7.44092 8.55349 4.10674 numMergedOcc 0
25 mol 133 unq 3 iso 0 dist 4.95674 11.4632 9.50664 7.44092 8.55349 6.24625 numMergedOcc 0
26 mol 133 unq 4 iso 0 dist 4.95674 8.24649 6.71555 7.44092 8.55349 6.11861 numMergedOcc 0
27 mol 133 unq 5 iso 0 dist 7.17226 9.91819 7.41399 11.0449 8.55349 11.4316 numMergedOcc 0
28 mol 133 unq 6 iso 0 dist 7.17226 13.1776 8.21165 11.0449 8.55349 12.3375 numMergedOcc 0
29 mol 133 unq 7 iso 0 dist 7.17226 10.319 8.97945 11.0449 8.55349 4.10674 numMergedOcc 0
30 mol 133 unq 8 iso 0 dist 7.17226 9.4826 9.50664 11.0449 8.55349 6.24625 numMergedOcc 0
31 mol 133 unq 9 iso 0 dist 7.17226 5.16948 6.71555 11.0449 8.55349 6.11861 numMergedOcc 0
32 mol 133 unq 10 iso 0 dist 9.59094 12.0166 6.51868 13.2035 9.10003 10.0161 numMergedOcc 0
33 mol 133 unq 11 iso 0 dist 9.59094 5.14992 7.34698 13.2035 9.10003 11.7838 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 5.98435 12.2847 8.55616 4.72407 6.44575 11.5269 numMergedOcc 0
35 mol 134 unq 1 iso 0 dist 5.98435 12.2847 8.55616 7.97297 7.43401 6.93712 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 4.87879 8.45048 6.21403 8.17498 5.73203 4.07076 numMergedOcc 0
37 mol 134 unq 3 iso 0 dist 4.87879 8.45048 6.21403 10.9758 6.57379 6.32315 numMergedOcc 0
38 mol 134 unq 4 iso 0 dist 6.76614 4.98172 6.21403 6.6473 5.73203 4.07076 numMergedOcc 0
39 mol 134 unq 5 iso 0 dist 6.76614 4.98172 6.21403 10.3627 6.57379 6.32315 numMergedOcc 0
40 mol 134 unq 6 iso 0 dist 8.80672 9.86578 6.21403 6.67639 5.73203 4.07076 numMergedOcc 0
41 mol 134 unq 7 iso 0 dist 8.80672 9.86578 6.21403 4.4987 6.57379 6.32315 numMergedOcc 0
42 mol 143 unq 0 iso 0 dist 7.13287 11.3048 6.46089 9.1255 7.05845 12.207 numMergedOcc 0
43 mol 148 unq 0 iso 0 dist 6.91289 7.65889 8.28564 8.23396 8.42899 3.92992 numMergedOcc 0
44 mol 150 unq 0 iso 0 dist 6.895 7.40938 8.39475 7.40922 8.33721 3.94762 numMergedOcc 0
45 mol 225 unq 0 iso 0 dist 6.31342 7.13133 9.47117 4.94099 5.93063 10.1358 numMergedOcc 0
46 mol 235 unq 0 iso 0 dist 9.24964 13.9329 7.31773 9.94369 7.02029 5.4263 numMergedOcc 0
47 mol 235 unq 1 iso 0 dist 5.71896 10.1328 7.31773 7.91326 7.02029 5.4263 numMergedOcc 0
48 mol 235 unq 2 iso 0 dist 8.3229 6.43382 7.31773 5.72513 7.02029 5.4263 numMergedOcc 0
49 mol 267 unq 0 iso 0 dist 6.87713 15.4443 9.01354 5.30771 6.32877 14.8427 numMergedOcc 0
50 mol 267 unq 1 iso 0 dist 6.87713 15.4443 9.01354 7.81198 9.48115 16.1143 numMergedOcc 0
51 mol 267 unq 2 iso 0 dist 6.87713 15.4443 9.01354 14.1912 8.38545 5.32312 numMergedOcc 0
52 mol 267 unq 3 iso 0 dist 6.87713 15.4443 9.01354 10.6273 5.08174 5.68457 numMergedOcc 0
53 mol 267 unq 4 iso 0 dist 6.87713 15.4443 9.01354 11.0675 6.10838 5.41564 numMergedOcc 0
54 mol 267 unq 5 iso 0 dist 8.87518 8.08702 9.01354 11.6034 6.32877 14.8427 numMergedOcc 0
55 mol 267 unq 6 iso 0 dist 8.87518 8.08702 9.01354 12.9552 9.48115 16.1143 numMergedOcc 0
56 mol 267 unq 7 iso 0 dist 8.87518 8.08702 9.01354 5.23612 8.38545 5.32312 numMergedOcc 0
57 mol 267 unq 8 iso 0 dist 8.87518 8.08702 9.01354 10.1261 5.08174 5.68457 numMergedOcc 0
58 mol 267 unq 9 iso 0 dist 8.87518 8.08702 9.01354 9.74815 6.10838 5.41564 numMergedOcc 0
59 mol 274 unq 0 iso 0 dist 8.38395 9.16187 9.20749 11.3961 6.66172 5.39432 numMergedOcc 0
60 mol 287 unq 0 iso 0 dist 8.70062 7.53523 5.59555 9.8719 8.59762 5.97664 numMergedOcc 0
61 mol 288 unq 0 iso 0 dist 8.70062 7.53523 5.59555 9.8719 8.59762 5.97664 numMergedOcc 0
62 mol 289 unq 0 iso 0 dist 8.70062 7.53523 5.59555 9.8719 8.59762 5.97664 numMergedOcc 0
