0 mol 0 unq 0 iso 0 dist 9.94618 6.94181 14.0556 5.47921 15.3785 7.15528 10.651 18.0318 7.19817 9.6994 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.79533 9.31271 16.5607 10.3326 18.2908 9.04767 13.6817 20.3012 5.67201 9.7022 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 8.79533 9.31271 16.5607 10.3326 18.2908 9.04767 13.1379 20.9542 4.53725 9.58196 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 8.46837 6.84569 6.43294 5.46269 9.79958 5.46498 9.59856 5.45161 5.32694 7.63133 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 8.46837 6.84569 6.43294 5.46269 9.79958 5.46498 10.5516 11.6041 5.74188 8.71745 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 5.90113 9.74445 8.80331 10.615 14.445 8.13395 6.20293 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.10175 6.54183 10.1356 5.65405 5.59773 8.10861 14.4402 13.9079 16.3192 9.5589 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 6.10175 6.54183 10.1356 5.65405 5.59773 8.10861 10.5929 10.4238 14.2075 6.83299 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 11.6369 15.4232 9.96708 12.3223 14.8672 10.7394 8.8178 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 10.1112 10.4716 5.4148 9.96396 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 19.5696 13.9156 13.3558 8.70481 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 10.1112 8.31041 5.4148 9.96396 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 19.5696 11.2674 13.3558 8.70481 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 6.99156 8.124 8.0624 13.4367 10.1503 6.19304 10.1112 11.7069 5.4148 9.96396 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 6.99156 8.124 8.0624 13.4367 10.1503 6.19304 19.5696 14.5102 13.3558 8.70481 numMergedOcc 0
15 mol 73 unq 6 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 11.0108 8.31041 14.9342 9.96396 numMergedOcc 0
16 mol 73 unq 7 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 10.9082 5.44275 13.3558 6.19304 numMergedOcc 0
17 mol 75 unq 0 iso 0 dist 8.47302 8.2147 5.4217 13.5815 13.0997 7.79912 13.0332 7.64591 5.64643 8.56639 numMergedOcc 0
18 mol 75 unq 1 iso 0 dist 8.47302 8.2147 5.4217 13.5815 13.0997 7.79912 18.603 13.6999 10.4899 8.59017 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 9.2046 7.51061 10.6667 5.29855 13.1633 7.34473 11.8872 15.1709 7 8.58044 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 9.2046 7.51061 10.6667 5.29855 13.1633 7.34473 10.7963 10.3273 8.40993 9.97763 numMergedOcc 0
21 mol 117 unq 0 iso 0 dist 5.24519 8.81172 6.29427 5.34484 7.70533 9.84395 11.6152 14.3476 13.1058 7.90328 numMergedOcc 0
22 mol 117 unq 1 iso 0 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 11.0698 14.2649 7.22206 7.83136 numMergedOcc 0
23 mol 117 unq 2 iso 0 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 10.5123 9.53886 9.3584 7.0603 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 7.8034 9.33945 8.25445 12.3624 11.439 8.40312 14.2573 11.8349 5.55373 7.12972 numMergedOcc 0
25 mol 131 unq 1 iso 0 dist 7.8034 9.33945 8.25445 12.3624 11.439 8.40312 17.4482 16.7763 10.7062 6.85062 numMergedOcc 0
26 mol 142 unq 0 iso 0 dist 9.5355 7.15087 13.1936 8.68855 7.57458 9.2313 10.5719 12.288 5.50998 7.73169 numMergedOcc 0
27 mol 142 unq 1 iso 0 dist 9.5355 7.15087 13.1936 8.68855 7.57458 9.2313 15.3413 14.2067 11.1395 8.96657 numMergedOcc 0
28 mol 142 unq 2 iso 0 dist 9.5355 7.15087 13.1936 5.50176 10.5524 5.31024 10.5719 12.288 5.50998 7.26382 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 5.66289 7.30021 7.44554 7.11647 5.75141 5.56175 8.94056 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 6.67598 9.19499 5.0966 5.66289 7.30021 7.44554 13.581 12.865 8.38403 9.83699 numMergedOcc 0
31 mol 156 unq 2 iso 0 dist 6.67598 7.11647 5.75141 5.66289 7.30021 8.94056 9.19499 5.0966 5.56175 7.44554 numMergedOcc 0
32 mol 156 unq 3 iso 0 dist 6.67598 7.11647 5.75141 5.66289 7.30021 8.94056 13.581 12.865 11.2719 9.83699 numMergedOcc 0
33 mol 156 unq 4 iso 0 dist 8.98636 9.19499 8.58765 5.66289 12.0043 7.44554 7.11647 5.6208 5.56175 8.94056 numMergedOcc 0
34 mol 156 unq 5 iso 0 dist 8.98636 9.19499 8.58765 5.66289 12.0043 7.44554 13.581 16.2371 8.38403 9.83699 numMergedOcc 0
35 mol 156 unq 6 iso 0 dist 8.98636 7.11647 5.6208 5.66289 12.0043 8.94056 9.19499 8.58765 5.56175 7.44554 numMergedOcc 0
36 mol 156 unq 7 iso 0 dist 8.98636 7.11647 5.6208 5.66289 12.0043 8.94056 13.581 16.2371 11.2719 9.83699 numMergedOcc 0
37 mol 156 unq 8 iso 0 dist 8.79185 9.19499 9.07974 5.66289 10.0734 7.44554 7.11647 5.70205 5.56175 8.94056 numMergedOcc 0
38 mol 156 unq 9 iso 0 dist 8.79185 9.19499 9.07974 5.66289 10.0734 7.44554 13.581 9.95824 8.38403 9.83699 numMergedOcc 0
39 mol 156 unq 10 iso 0 dist 8.79185 7.11647 5.70205 5.66289 10.0734 8.94056 9.19499 9.07974 5.56175 7.44554 numMergedOcc 0
40 mol 156 unq 11 iso 0 dist 8.79185 7.11647 5.70205 5.66289 10.0734 8.94056 13.581 9.95824 11.2719 9.83699 numMergedOcc 0
41 mol 156 unq 12 iso 0 dist 9.04176 9.68507 4.08699 9.75709 10.543 7.66148 10.2339 9.75421 10.1658 8.94056 numMergedOcc 0
42 mol 156 unq 13 iso 0 dist 9.41152 7.98018 4.7382 4.68187 12.6493 9.83699 10.0213 12.6859 8.38403 7.44554 numMergedOcc 0
43 mol 156 unq 14 iso 0 dist 9.41152 7.98018 4.7382 4.68187 12.6493 9.83699 11.8093 14.3164 11.2719 8.94056 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 5.114 11.2315 9.1374 10.3907 13.9623 8.88798 5.98885 numMergedOcc 0
45 mol 181 unq 1 iso 0 dist 8.03259 8.90247 6.94401 5.114 11.2315 9.1374 13.7299 16.475 12.1628 9.15386 numMergedOcc 0
46 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 5.01062 8.7347 6.00706 8.5834 4.28891 6.8425 7.54212 numMergedOcc 0
47 mol 222 unq 1 iso 0 dist 7.10689 8.5834 4.28891 5.01062 8.7347 7.54212 8.7419 8.81265 6.8425 6.00706 numMergedOcc 0
48 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 9.81806 15.9877 6.57273 10.1632 12.6092 5.0744 6.60589 numMergedOcc 0
49 mol 224 unq 1 iso 0 dist 8.68767 9.73411 14.3302 5.99647 12.7282 5.78342 10.1632 12.6092 5.0744 9.16166 numMergedOcc 0
50 mol 224 unq 2 iso 0 dist 8.68767 9.73411 14.3302 5.99647 12.7282 5.78342 7.75485 9.74911 5.60236 5.81334 numMergedOcc 0
51 mol 224 unq 3 iso 0 dist 8.68767 7.75485 9.74911 5.99647 12.7282 5.81334 9.73411 14.3302 5.60236 5.78342 numMergedOcc 0
52 mol 224 unq 4 iso 0 dist 8.68767 7.75485 9.74911 5.99647 12.7282 5.81334 10.1632 12.6092 6.91102 9.16166 numMergedOcc 0
53 mol 224 unq 5 iso 0 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 12.0295 9.36962 5.0744 6.60589 numMergedOcc 0
54 mol 224 unq 6 iso 0 dist 7.7163 7.07564 5.63485 5.44863 10.0081 5.78342 12.0295 9.36962 5.0744 9.16166 numMergedOcc 0
55 mol 224 unq 7 iso 0 dist 7.7163 7.07564 5.63485 5.44863 10.0081 5.78342 9.11052 10.3532 5.60236 5.81334 numMergedOcc 0
56 mol 224 unq 8 iso 0 dist 7.7163 9.11052 10.3532 5.44863 10.0081 5.81334 7.07564 5.63485 5.60236 5.78342 numMergedOcc 0
57 mol 224 unq 9 iso 0 dist 7.7163 9.11052 10.3532 5.44863 10.0081 5.81334 12.0295 9.36962 6.91102 9.16166 numMergedOcc 0
58 mol 224 unq 10 iso 0 dist 9.2 7.07564 4.8786 10.8463 11.1052 6.57273 12.0295 7.18448 5.0744 6.60589 numMergedOcc 0
59 mol 224 unq 11 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 12.0295 7.18448 5.0744 9.16166 numMergedOcc 0
60 mol 224 unq 12 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 9.11052 6.38066 5.60236 5.81334 numMergedOcc 0
61 mol 224 unq 13 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 7.07564 4.8786 5.60236 5.78342 numMergedOcc 0
62 mol 224 unq 14 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 12.0295 7.18448 6.91102 9.16166 numMergedOcc 0
63 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 14.1483 16.2594 9.51866 9.34734 numMergedOcc 0
64 mol 227 unq 1 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 12.9898 14.9329 12.4689 7.22101 numMergedOcc 0
65 mol 227 unq 2 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 14.1659 13.2783 12.9332 8.65997 numMergedOcc 0
66 mol 227 unq 3 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 9.8971 10.6504 4.48529 7.56888 numMergedOcc 0
67 mol 231 unq 0 iso 0 dist 6.73226 8.91036 11.548 10.613 16.203 7.37839 12.2364 14.4653 4.06055 8.40182 numMergedOcc 0
68 mol 253 unq 0 iso 0 dist 9.35766 7.26981 9.56248 10.8952 17.3894 8.31064 13.2486 16.4324 8.02948 6.73034 numMergedOcc 0
69 mol 258 unq 0 iso 0 dist 6.59521 8.21585 9.22664 5.13233 8.58088 6.42289 10.7821 10.221 7.26417 6.60405 numMergedOcc 0
70 mol 259 unq 0 iso 0 dist 7.4294 5.75874 6.9607 5.20592 10.3594 8.53687 10.9903 15.8193 10.582 8.13497 numMergedOcc 0
71 mol 259 unq 1 iso 0 dist 8.37253 5.75874 6.68041 5.20592 12.6542 8.53687 10.9903 14.0237 10.582 8.13497 numMergedOcc 0
72 mol 261 unq 0 iso 0 dist 9.56414 9.95681 4.50761 5.79827 10.2386 8.02547 10.8774 12.8629 10.0727 8.43057 numMergedOcc 0
73 mol 261 unq 1 iso 0 dist 9.56414 9.95681 4.50761 5.79827 10.2386 8.02547 9.05762 8.80293 5.51688 6.05727 numMergedOcc 0
74 mol 261 unq 2 iso 0 dist 9.56414 9.05762 8.80293 5.79827 10.2386 6.05727 9.95681 4.50761 5.51688 8.02547 numMergedOcc 0
75 mol 261 unq 3 iso 0 dist 9.56414 9.05762 8.80293 5.79827 10.2386 6.05727 10.8774 12.8629 4.63549 8.43057 numMergedOcc 0
