0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 5.13744 6.36911 6.06176 12.1855 9.87885 12.8323 7.92429 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.47321 5.91584 8.57077 8.48796 8.47421 5.60154 7.28164 8.55451 8.69454 5.66192 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.47321 5.91584 8.57077 8.48796 8.47421 5.60154 6.24734 5.8245 5.84314 3.91075 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 12.0005 7.03948 6.2983 5.37568 6.42835 5.01101 9.87867 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 8.17898 5.72175 5.05803 12.0005 7.03948 6.2983 9.62324 6.57331 4.65873 4.68733 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.10915 9.73304 9.67592 12.9814 8.68586 5.3948 6.24019 9.86334 5.16015 8.84224 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.66921 10.8918 9.67592 11.75 8.68586 5.3948 7.01498 9.86334 5.16015 8.84224 numMergedOcc 0
7 mol 64 unq 2 iso 0 dist 5.54343 5.59762 9.67592 5.68492 8.68586 5.3948 5.18166 9.86334 5.16015 8.84224 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 5.14919 4.65521 7.41074 10.7557 8.68662 6.20232 6.10063 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 5.14919 4.65521 7.41074 11.1632 7.4369 5.70116 6.15714 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.79954 14.1415 9.38498 13.1044 8.70133 13.4082 11.5216 9.73086 17.4121 6.15714 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 13.1044 8.70133 7.41074 11.5216 9.73086 5.70116 6.15714 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 5.79954 9.65653 9.75218 13.1044 8.70133 15.9882 11.5216 9.73086 14.844 6.15714 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 7.01889 7.9573 9.38498 15.124 8.70133 13.4082 16.3376 9.73086 17.4121 6.15714 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 7.01889 15.0744 9.96396 15.124 8.70133 7.41074 16.3376 9.73086 5.70116 6.15714 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 7.01889 8.11922 9.75218 15.124 8.70133 15.9882 16.3376 9.73086 14.844 6.15714 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 4.83274 10.2219 6.97941 13.8036 9.49449 6.06861 8.55291 9.6952 8.66662 14.5852 numMergedOcc 0
17 mol 76 unq 1 iso 0 dist 7.89214 7.74851 6.97941 6.63393 9.49449 6.06861 13.2696 9.6952 8.66662 14.5852 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 7.73139 11.0785 9.30299 11.54 9.81878 4.77464 4.66329 6.08673 12.8087 12.2579 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 6.66607 8.89539 9.30299 6.09683 9.81878 4.77464 7.30158 6.08673 12.8087 12.2579 numMergedOcc 0
20 mol 127 unq 2 iso 0 dist 8.62711 10.345 9.30299 13.376 9.81878 4.77464 9.74982 6.08673 12.8087 12.2579 numMergedOcc 0
21 mol 132 unq 0 iso 0 dist 6.2403 6.04014 7.7059 6.58856 6.03703 9.92344 11.6543 6.89918 12.9631 6.545 numMergedOcc 0
22 mol 132 unq 1 iso 0 dist 6.495 10.0823 7.7059 10.343 6.03703 9.92344 7.05332 6.89918 12.9631 6.545 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 6.30187 5.42582 5.41704 7.77359 9.33924 6.95573 6.0991 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 6.30187 5.42582 5.41704 10.8891 7.93372 8.06642 5.67107 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 6.30187 5.42582 6.17103 7.77359 9.33924 10.2026 6.0991 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 5.67862 12.4156 9.71307 6.30187 5.42582 6.17103 10.8891 7.93372 4.00092 5.67107 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 11.695 5.90931 5.09262 5.99091 7.9133 10.7169 11.2106 numMergedOcc 0
28 mol 204 unq 1 iso 0 dist 7.7292 9.54287 8.51516 11.695 5.90931 12.9483 5.99091 7.9133 5.57347 11.2106 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 9.40003 16.5528 9.65138 13.377 6.97182 6.16485 7.66602 7.46481 11.4955 11.357 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 9.40003 16.5528 9.65138 9.36638 6.1175 11.5712 7.66602 7.46481 11.4955 10.9581 numMergedOcc 0
31 mol 214 unq 2 iso 0 dist 9.40003 9.11345 7.14453 13.377 6.97182 5.33565 7.66602 7.46481 8.459 11.357 numMergedOcc 0
32 mol 214 unq 3 iso 0 dist 9.40003 9.11345 7.14453 9.36638 6.1175 5.06792 7.66602 7.46481 8.459 10.9581 numMergedOcc 0
33 mol 214 unq 4 iso 0 dist 9.40003 16.922 8.85478 13.377 6.97182 8.47007 7.66602 7.46481 11.1534 11.357 numMergedOcc 0
34 mol 214 unq 5 iso 0 dist 9.40003 16.922 8.85478 9.36638 6.1175 12.8334 7.66602 7.46481 11.1534 10.9581 numMergedOcc 0
35 mol 214 unq 6 iso 0 dist 8.68385 10.2443 9.65138 8.07861 6.97182 6.16485 15.5553 7.46481 11.4955 11.357 numMergedOcc 0
36 mol 214 unq 7 iso 0 dist 8.68385 10.2443 9.65138 10.2576 6.1175 11.5712 15.5553 7.46481 11.4955 10.9581 numMergedOcc 0
37 mol 214 unq 8 iso 0 dist 8.68385 12.5421 7.14453 8.07861 6.97182 5.33565 15.5553 7.46481 8.459 11.357 numMergedOcc 0
38 mol 214 unq 9 iso 0 dist 8.68385 12.5421 7.14453 10.2576 6.1175 5.06792 15.5553 7.46481 8.459 10.9581 numMergedOcc 0
39 mol 214 unq 10 iso 0 dist 8.68385 9.18071 8.85478 8.07861 6.97182 8.47007 15.5553 7.46481 11.1534 11.357 numMergedOcc 0
40 mol 214 unq 11 iso 0 dist 8.68385 9.18071 8.85478 10.2576 6.1175 12.8334 15.5553 7.46481 11.1534 10.9581 numMergedOcc 0
41 mol 236 unq 0 iso 0 dist 6.36941 8.3919 9.81562 11.4732 5.34718 11.8759 5.3331 9.3206 4.27181 13.0765 numMergedOcc 0
42 mol 236 unq 1 iso 0 dist 6.36941 4.88785 7.68742 11.4732 5.34718 11.3552 5.3331 9.3206 4.89609 13.0765 numMergedOcc 0
43 mol 236 unq 2 iso 0 dist 6.36941 10.2557 6.27581 11.4732 5.34718 6.04825 5.3331 9.3206 10.5774 13.0765 numMergedOcc 0
44 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 7.99967 8.50864 10.1857 9.33595 9.05018 4.58289 13.1523 numMergedOcc 0
45 mol 276 unq 0 iso 0 dist 5.30976 7.38126 9.8993 10.4141 8.76347 7.54851 3.87012 8.6759 9.39944 13.5196 numMergedOcc 0
46 mol 276 unq 1 iso 0 dist 5.30976 6.39319 6.87396 10.4141 8.76347 6.4102 3.87012 8.6759 8.26321 13.5196 numMergedOcc 0
