0 mol 7 unq 0 iso 0 dist 7.38748 6.22892 5.0893 7.15287 6.8464 8.41585 5.13744 8.77133 6.36911 6.06176 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.75001 7.84393 12.48 9.01721 17.1733 7.82074 6.31174 14.362 8.73972 6.55187 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.69637 6.85331 9.1927 9.20254 12.0295 6.86014 8.91397 14.4209 9.75144 5.39241 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 9.73304 16.8033 9.67592 12.9814 20.358 8.68586 5.3948 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 5.66803 5.54343 5.9853 5.59762 9.21546 9.67592 5.68492 5.1488 8.68586 5.3948 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 12.8388 11.6724 9.96396 13.1044 6.96647 8.70133 7.41074 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.90896 5.79954 4.78435 9.65653 14.5091 9.75218 13.1044 6.96647 8.70133 15.9882 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.90896 5.79954 4.78435 14.1415 10.2786 9.38498 13.1044 6.96647 8.70133 13.4082 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 10.2219 14.6364 6.97941 13.8036 16.993 9.49449 6.06861 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 5.83719 8.62711 11.2447 10.345 11.2815 9.30299 13.376 15.4752 9.81878 4.77464 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 10.0823 11.9102 7.7059 10.343 10.501 6.03703 9.92344 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 13.7028 13.3338 9.0018 10.2578 13.8845 9.8589 8.22779 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 7.03107 6.6776 4.51101 10.4662 8.84385 5.6234 10.2578 13.8845 9.8589 10.5631 numMergedOcc 0
13 mol 175 unq 2 iso 0 dist 7.03107 6.6776 4.51101 7.42609 9.81041 6.57069 10.2578 13.8845 9.8589 7.5414 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.92801 9.63295 9.40823 12.5935 12.8027 7.63312 10.602 13.8176 6.93764 4.80231 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.40718 9.63295 5.32364 12.5935 11.9989 7.63312 10.602 9.23089 6.93764 4.80231 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 16.5528 23.0178 9.65138 13.377 20.2964 6.97182 6.16485 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 7.82201 9.40003 17.1162 16.5528 23.0178 9.65138 9.36638 16.417 6.1175 11.5712 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 7.82201 9.40003 17.1162 9.11345 15.2631 7.14453 13.377 20.2964 6.97182 5.33565 numMergedOcc 0
19 mol 214 unq 3 iso 0 dist 7.82201 9.40003 17.1162 9.11345 15.2631 7.14453 9.36638 16.417 6.1175 5.06792 numMergedOcc 0
20 mol 214 unq 4 iso 0 dist 7.82201 9.40003 17.1162 16.922 23.8076 8.85478 13.377 20.2964 6.97182 8.47007 numMergedOcc 0
21 mol 214 unq 5 iso 0 dist 7.82201 9.40003 17.1162 16.922 23.8076 8.85478 9.36638 16.417 6.1175 12.8334 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 9.89039 8.9077 13.6952 10.6943 15.6403 9.23153 10.4277 18.0435 6.84247 6.7067 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 9.89039 8.9077 13.6952 10.6943 15.6403 9.23153 12.6281 17.3246 6.99002 15.9568 numMergedOcc 0
24 mol 220 unq 2 iso 0 dist 9.89039 8.9077 13.6952 15.396 21.5268 8.24498 10.4277 18.0435 6.84247 6.05129 numMergedOcc 0
25 mol 220 unq 3 iso 0 dist 9.89039 8.9077 13.6952 15.396 21.5268 8.24498 12.6281 17.3246 6.99002 11.1321 numMergedOcc 0
26 mol 220 unq 4 iso 0 dist 8.57174 8.9077 13.8822 10.6943 18.2814 9.23153 10.4277 15.2861 6.84247 6.7067 numMergedOcc 0
27 mol 220 unq 5 iso 0 dist 8.57174 8.9077 13.8822 10.6943 18.2814 9.23153 12.6281 13.108 6.99002 15.9568 numMergedOcc 0
28 mol 220 unq 6 iso 0 dist 8.57174 8.9077 13.8822 15.396 19.4468 8.24498 10.4277 15.2861 6.84247 6.05129 numMergedOcc 0
29 mol 220 unq 7 iso 0 dist 8.57174 8.9077 13.8822 15.396 19.4468 8.24498 12.6281 13.108 6.99002 11.1321 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 8.63249 9.97357 13.6195 8.3919 11.8908 8.03456 11.4732 10.3387 7.17676 11.8759 numMergedOcc 0
31 mol 236 unq 1 iso 0 dist 8.63249 9.97357 13.6195 8.3919 11.8908 8.03456 14.1057 14.2759 6.68463 9.07822 numMergedOcc 0
32 mol 236 unq 2 iso 0 dist 8.63249 9.97357 13.6195 4.88785 12.0498 6.84306 11.4732 10.3387 7.17676 11.3552 numMergedOcc 0
33 mol 236 unq 3 iso 0 dist 8.63249 9.97357 13.6195 4.88785 12.0498 6.84306 14.1057 14.2759 6.68463 11.6837 numMergedOcc 0
34 mol 236 unq 4 iso 0 dist 8.63249 9.97357 13.6195 10.2557 5.90804 9.99038 11.4732 10.3387 7.17676 6.04825 numMergedOcc 0
35 mol 236 unq 5 iso 0 dist 8.63249 9.97357 13.6195 10.2557 5.90804 9.99038 14.1057 14.2759 6.68463 8.8265 numMergedOcc 0
36 mol 236 unq 6 iso 0 dist 8.63249 9.97357 13.6195 14.6755 15.4854 9.78037 11.4732 10.3387 7.17676 12.6468 numMergedOcc 0
37 mol 236 unq 7 iso 0 dist 8.63249 9.97357 13.6195 14.6755 15.4854 9.78037 14.1057 14.2759 6.68463 5.80136 numMergedOcc 0
38 mol 236 unq 8 iso 0 dist 8.63249 9.97357 13.6195 16.5918 16.1665 8.35971 11.4732 10.3387 7.17676 6.40312 numMergedOcc 0
39 mol 236 unq 9 iso 0 dist 8.63249 9.97357 13.6195 16.5918 16.1665 8.35971 14.1057 14.2759 6.68463 6.2568 numMergedOcc 0
40 mol 236 unq 10 iso 0 dist 8.63249 6.36941 7.45579 8.3919 11.8908 9.81562 11.4732 10.3387 5.34718 11.8759 numMergedOcc 0
41 mol 236 unq 11 iso 0 dist 8.63249 6.36941 7.45579 4.88785 12.0498 7.68742 11.4732 10.3387 5.34718 11.3552 numMergedOcc 0
42 mol 236 unq 12 iso 0 dist 8.63249 6.36941 7.45579 10.2557 5.90804 6.27581 11.4732 10.3387 5.34718 6.04825 numMergedOcc 0
