0 mol 25 unq 0 iso 0 dist 7.31767 7.685 8.43188 5.81959 7.63409 9.96732 7.6114 6.10919 7.1845 11.4877 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 6.03987 7.685 10.3635 5.81959 8.4666 9.96732 7.6114 5.86705 7.1845 11.4877 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.2846 6.34173 4.71384 9.44459 5.73693 5.94047 9.33906 6.42339 6.00679 10.7651 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 7.58835 6.34173 5.67689 9.44459 11.6164 5.94047 9.33906 5.1274 6.00679 10.7651 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 7.04044 15.7304 11.2505 9.73086 17.4121 6.15714 7.8972 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 7.04044 8.26458 11.2505 9.73086 5.70116 6.15714 7.8972 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 8.73253 8.26458 11.2505 8.68662 6.20232 6.10063 10.9746 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 8.73253 8.26458 11.2505 7.4369 5.70116 6.15714 7.8972 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 9.75218 8.70133 15.9882 7.04044 8.35241 11.2505 9.73086 14.844 6.15714 7.8972 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 6.45675 8.72704 7.2495 9.00544 11.8512 14.6145 7.82475 5.43561 12.5061 11.3766 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 6.45675 8.72704 7.2495 9.00544 11.8512 14.6145 5.35782 6.30222 12.1093 10.5056 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 6.45675 8.72704 7.2495 7.12017 9.52882 6.00843 7.82475 5.43561 12.5061 13.4027 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 6.45675 8.72704 7.2495 7.12017 9.52882 6.00843 5.35782 6.30222 12.1093 12.068 numMergedOcc 0
13 mol 100 unq 4 iso 0 dist 7.47343 8.72704 10.1589 9.00544 14.9392 14.6145 7.82475 5.9143 12.5061 11.3766 numMergedOcc 0
14 mol 100 unq 5 iso 0 dist 7.47343 8.72704 10.1589 9.00544 14.9392 14.6145 5.35782 5.47563 12.1093 10.5056 numMergedOcc 0
15 mol 100 unq 6 iso 0 dist 7.47343 8.72704 10.1589 7.12017 12.6602 6.00843 7.82475 5.9143 12.5061 13.4027 numMergedOcc 0
16 mol 100 unq 7 iso 0 dist 7.47343 8.72704 10.1589 7.12017 12.6602 6.00843 5.35782 5.47563 12.1093 12.068 numMergedOcc 0
17 mol 100 unq 8 iso 0 dist 8.86688 8.72704 15.9331 9.00544 9.01214 14.6145 7.82475 5.25234 12.5061 11.3766 numMergedOcc 0
18 mol 100 unq 9 iso 0 dist 8.86688 8.72704 15.9331 9.00544 9.01214 14.6145 5.35782 5.03232 12.1093 10.5056 numMergedOcc 0
19 mol 100 unq 10 iso 0 dist 8.86688 8.72704 15.9331 7.12017 14.8674 6.00843 7.82475 5.25234 12.5061 13.4027 numMergedOcc 0
20 mol 100 unq 11 iso 0 dist 8.86688 8.72704 15.9331 7.12017 14.8674 6.00843 5.35782 5.03232 12.1093 12.068 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 5.34214 9.14441 5.94311 7.07971 4.69373 5.15674 6.8409 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 5.72642 5.61704 5.87507 7.69765 10.3209 9.13361 7.27912 numMergedOcc 0
23 mol 115 unq 1 iso 0 dist 7.30858 8.66155 11.3902 5.72642 5.61704 5.87507 9.42082 15.3161 6.49835 10.5109 numMergedOcc 0
24 mol 115 unq 2 iso 0 dist 5.83991 8.66155 6.09023 5.72642 6.4497 5.87507 7.69765 4.48636 9.13361 7.27912 numMergedOcc 0
25 mol 115 unq 3 iso 0 dist 5.83991 8.66155 6.09023 5.72642 6.4497 5.87507 9.42082 6.63111 6.49835 10.5109 numMergedOcc 0
26 mol 115 unq 4 iso 0 dist 7.88312 8.66155 4.61908 5.72642 7.3094 5.87507 7.69765 11.835 9.13361 7.27912 numMergedOcc 0
27 mol 115 unq 5 iso 0 dist 7.88312 8.66155 4.61908 5.72642 7.3094 5.87507 9.42082 6.07067 6.49835 10.5109 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 7.21868 8.06642 5.67107 4.935 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 9.86662 8.79571 6.17103 8.20836 5.12325 9.65798 7.21868 4.00092 5.67107 4.935 numMergedOcc 0
30 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 9.17106 12.6057 5.14959 7.81207 4.67662 5.26247 9.38687 numMergedOcc 0
31 mol 142 unq 1 iso 0 dist 9.2313 7.15475 9.49653 9.17106 12.6057 5.14959 7.18002 13.5913 12.2806 11.093 numMergedOcc 0
32 mol 142 unq 2 iso 0 dist 7.73169 7.15475 7.53854 9.17106 8.38032 5.14959 7.81207 5.81599 5.26247 9.38687 numMergedOcc 0
33 mol 142 unq 3 iso 0 dist 7.73169 7.15475 7.53854 9.17106 8.38032 5.14959 7.18002 9.99555 12.2806 11.093 numMergedOcc 0
34 mol 142 unq 4 iso 0 dist 8.96657 7.15475 10.3477 9.17106 8.16815 5.14959 7.81207 11.1 5.26247 9.38687 numMergedOcc 0
35 mol 142 unq 5 iso 0 dist 8.96657 7.15475 10.3477 9.17106 8.16815 5.14959 7.18002 6.52253 12.2806 11.093 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.29945 9.52634 9.11521 5.4969 12.3408 11.4433 9.63417 11.0361 4.14392 9.37652 numMergedOcc 0
37 mol 175 unq 1 iso 0 dist 9.29945 9.52634 9.11521 6.4318 8.68081 6.38017 9.63417 11.0361 4.14392 4.52999 numMergedOcc 0
38 mol 175 unq 2 iso 0 dist 9.29945 9.52634 9.11521 7.35824 12.5754 6.05776 9.63417 11.0361 4.14392 5.68406 numMergedOcc 0
39 mol 175 unq 3 iso 0 dist 9.29945 9.52634 9.11521 9.17364 10.0424 5.85047 9.63417 11.0361 4.14392 9.31641 numMergedOcc 0
40 mol 178 unq 0 iso 0 dist 6.69288 8.96511 10.5783 4.92088 10.1489 7.07052 9.11204 8.44333 5.87125 7.79894 numMergedOcc 0
41 mol 178 unq 1 iso 0 dist 6.43573 8.96511 5.96647 4.92088 8.27339 7.07052 9.11204 6.8202 5.87125 7.79894 numMergedOcc 0
42 mol 178 unq 2 iso 0 dist 7.17202 8.96511 12.075 4.92088 9.79302 7.07052 9.11204 14.9499 5.87125 7.79894 numMergedOcc 0
43 mol 178 unq 3 iso 0 dist 8.81551 8.96511 9.92132 4.92088 8.65097 7.07052 9.11204 14.2467 5.87125 7.79894 numMergedOcc 0
44 mol 204 unq 0 iso 0 dist 7.10633 5.90931 5.09262 6.85441 8.17229 10.7974 7.9133 10.7169 11.2106 9.54203 numMergedOcc 0
45 mol 204 unq 1 iso 0 dist 8.51516 5.90931 12.9483 6.85441 5.74707 10.7974 7.9133 5.57347 11.2106 9.54203 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 9.65138 6.97182 6.16485 6.38157 7.38025 9.26037 7.46481 11.4955 11.357 5.73082 numMergedOcc 0
47 mol 214 unq 1 iso 0 dist 9.65138 6.1175 11.5712 6.38157 7.38025 11.353 7.46481 11.4955 10.9581 5.73082 numMergedOcc 0
48 mol 214 unq 2 iso 0 dist 7.14453 6.97182 5.33565 6.38157 9.35273 9.26037 7.46481 8.459 11.357 5.73082 numMergedOcc 0
49 mol 214 unq 3 iso 0 dist 7.14453 6.1175 5.06792 6.38157 9.35273 11.353 7.46481 8.459 10.9581 5.73082 numMergedOcc 0
50 mol 214 unq 4 iso 0 dist 8.85478 6.97182 8.47007 6.38157 5.63388 9.26037 7.46481 11.1534 11.357 5.73082 numMergedOcc 0
51 mol 214 unq 5 iso 0 dist 8.85478 6.1175 12.8334 6.38157 5.63388 11.353 7.46481 11.1534 10.9581 5.73082 numMergedOcc 0
52 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 5.23634 5.0317 4.09934 7.3164 numMergedOcc 0
53 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 6.91318 5.0317 11.5454 7.3164 numMergedOcc 0
54 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 6.91318 5.0317 4.09934 7.3164 numMergedOcc 0
55 mol 227 unq 3 iso 0 dist 7.09863 8.17891 9.13836 8.38865 12.9587 5.92529 5.23634 5.83175 4.09934 7.3164 numMergedOcc 0
56 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 7.5366 5.63086 16.5499 7.81215 12.4252 11.8229 11.0592 numMergedOcc 0
57 mol 234 unq 1 iso 0 dist 9.45496 7.85175 11.216 7.5366 5.63086 13.0974 7.81215 12.4252 10.5304 11.0592 numMergedOcc 0
58 mol 234 unq 2 iso 0 dist 6.7625 9.5707 14.4106 7.5366 5.6819 16.5499 7.81215 5.75498 11.8229 11.0592 numMergedOcc 0
59 mol 234 unq 3 iso 0 dist 6.7625 7.85175 11.4315 7.5366 5.6819 13.0974 7.81215 5.75498 10.5304 11.0592 numMergedOcc 0
60 mol 236 unq 0 iso 0 dist 9.81562 5.34718 11.8759 8.50331 7.22918 11.6774 9.3206 4.27181 13.0765 5.59363 numMergedOcc 0
61 mol 236 unq 1 iso 0 dist 7.68742 5.34718 11.3552 8.50331 9.05842 11.6774 9.3206 4.89609 13.0765 5.59363 numMergedOcc 0
62 mol 236 unq 2 iso 0 dist 6.27581 5.34718 6.04825 8.50331 7.00028 11.6774 9.3206 10.5774 13.0765 5.59363 numMergedOcc 0
63 mol 238 unq 0 iso 0 dist 5.72887 9.29858 13.069 7.32982 12.3808 6.48619 9.72188 7.06793 11.7938 13.0611 numMergedOcc 0
64 mol 248 unq 0 iso 0 dist 7.69895 8.50864 10.1857 6.17052 5.99459 6.53154 9.05018 4.58289 13.1523 7.14182 numMergedOcc 0
65 mol 259 unq 0 iso 0 dist 5.30224 6.77938 4.99891 8.59697 7.31951 12.1218 8.03219 4.04513 8.90322 4.67584 numMergedOcc 0
66 mol 259 unq 1 iso 0 dist 5.30224 6.77938 4.99891 8.59697 7.31951 12.1218 6.9899 7.09907 9.2872 7.32929 numMergedOcc 0
67 mol 259 unq 2 iso 0 dist 5.30224 7.76676 5.32839 8.59697 7.31951 9.22203 8.03219 4.04513 7.27192 4.67584 numMergedOcc 0
68 mol 259 unq 3 iso 0 dist 5.30224 7.76676 5.32839 8.59697 7.31951 9.22203 6.9899 7.09907 4.61451 7.32929 numMergedOcc 0
