0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 9.67164 8.0744 5.5683 11.8172 14.9635 6.02702 10.2465 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 5.99972 7.25346 5.99459 8.0744 6.12483 5.13353 12.8015 9.68006 10.1349 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.80762 5.99972 10.0658 5.99459 11.7002 6.12483 5.13353 12.5387 9.68006 10.1349 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.92414 7.03958 8.07902 6.56356 4.69349 4.1204 12.4076 16.4393 8.53529 12.536 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.92414 7.03958 8.07902 6.56356 4.69349 4.1204 10.9495 13.6835 7.18019 9.01112 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 7.92414 7.03958 8.07902 6.56356 4.69349 4.1204 8.09332 11.2464 8.44009 7.62333 numMergedOcc 0
6 mol 8 unq 3 iso 0 dist 6.82379 7.03958 5.65816 6.56356 8.64248 4.1204 12.4076 7.3915 8.53529 12.536 numMergedOcc 0
7 mol 8 unq 4 iso 0 dist 6.82379 7.03958 5.65816 6.56356 8.64248 4.1204 10.9495 10.6335 7.18019 9.01112 numMergedOcc 0
8 mol 8 unq 5 iso 0 dist 6.82379 7.03958 5.65816 6.56356 8.64248 4.1204 8.09332 11.7258 8.44009 7.62333 numMergedOcc 0
9 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 8.30653 4.3947 10.6575 6.14147 10.5699 6.55811 13.3228 numMergedOcc 0
10 mol 9 unq 1 iso 0 dist 7.05346 7.32257 8.88528 8.30653 4.3947 10.6575 10.5747 12.6235 8.64915 16.2613 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 7.95042 4.47891 10.0453 11.4989 14.156 6.73939 10.9113 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 8.09311 9.94429 15.4445 14.6259 11.2485 8.4051 20.3516 numMergedOcc 0
13 mol 24 unq 2 iso 0 dist 6.72502 8.60554 6.99746 8.09311 9.94429 15.4445 10.0952 10.7114 7.29868 16.0162 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 6.72502 8.60554 6.99746 9.05357 6.88355 11.8971 14.6259 11.2485 8.4051 12.5061 numMergedOcc 0
15 mol 24 unq 4 iso 0 dist 6.72502 8.60554 6.99746 9.05357 6.88355 11.8971 10.0952 10.7114 7.29868 16.8554 numMergedOcc 0
16 mol 24 unq 5 iso 0 dist 6.72502 9.44691 7.05541 8.09311 9.94429 13.0295 14.6259 11.2485 8.75662 20.3516 numMergedOcc 0
17 mol 24 unq 6 iso 0 dist 6.72502 9.44691 7.05541 9.05357 6.88355 4.02219 14.6259 11.2485 8.75662 12.5061 numMergedOcc 0
18 mol 24 unq 7 iso 0 dist 4.93188 8.70827 9.75636 6.6219 8.32592 4.04519 12.3067 9.24958 9.12854 11.0181 numMergedOcc 0
19 mol 24 unq 8 iso 0 dist 4.93188 8.70827 9.75636 5.68215 8.10397 13.7009 12.3067 9.24958 9.12854 17.003 numMergedOcc 0
20 mol 24 unq 9 iso 0 dist 4.93188 6.73939 10.0715 6.6219 8.32592 12.5545 11.4989 13.0257 9.41441 17.6792 numMergedOcc 0
21 mol 24 unq 10 iso 0 dist 4.93188 6.73939 10.0715 5.68215 8.10397 4.08755 11.4989 13.0257 9.41441 12.5088 numMergedOcc 0
22 mol 24 unq 11 iso 0 dist 9.24958 9.12854 9.75636 8.87744 7.55689 9.86385 12.3067 4.93188 8.70827 10.4135 numMergedOcc 0
23 mol 24 unq 12 iso 0 dist 9.24958 9.12854 9.75636 7.27472 5.11135 10.4353 12.3067 4.93188 8.70827 9.33482 numMergedOcc 0
24 mol 25 unq 0 iso 0 dist 5.81959 8.6653 6.61233 7.6114 11.4877 10.8122 10.6808 6.90155 7.92503 16.617 numMergedOcc 0
25 mol 25 unq 1 iso 0 dist 6.90155 6.16347 11.0508 4.79873 6.86525 5.46578 10.9391 17.3821 7.45383 12.3944 numMergedOcc 0
26 mol 25 unq 2 iso 0 dist 6.90155 6.16347 11.0508 9.48085 13.7717 9.62058 10.9391 17.3821 7.45383 9.49421 numMergedOcc 0
27 mol 25 unq 3 iso 0 dist 6.90155 7.92503 6.61233 4.79873 6.86525 11.0175 10.6808 5.81959 8.6653 11.4732 numMergedOcc 0
28 mol 25 unq 4 iso 0 dist 6.90155 7.92503 6.61233 9.48085 13.7717 10.2758 10.6808 5.81959 8.6653 17.8732 numMergedOcc 0
29 mol 25 unq 5 iso 0 dist 6.6492 7.45383 11.7817 7.52933 7.41888 11.0227 10.9391 16.357 6.16347 16.4232 numMergedOcc 0
30 mol 25 unq 6 iso 0 dist 6.6492 7.45383 11.7817 6.55597 8.89681 4.98822 10.9391 16.357 6.16347 11.037 numMergedOcc 0
31 mol 25 unq 7 iso 0 dist 6.6492 7.45383 11.7817 9.71956 6.97709 10.3547 10.9391 16.357 6.16347 14.581 numMergedOcc 0
32 mol 25 unq 8 iso 0 dist 6.6492 7.45383 11.7817 7.07751 5.5511 7.91914 10.9391 16.357 6.16347 13.0315 numMergedOcc 0
33 mol 25 unq 9 iso 0 dist 6.6492 7.45383 11.7817 8.23761 4.38027 11.7069 10.9391 16.357 6.16347 17.2964 numMergedOcc 0
34 mol 25 unq 10 iso 0 dist 6.6492 7.45383 11.7817 9.49421 11.7199 9.62058 10.9391 16.357 6.16347 9.48085 numMergedOcc 0
35 mol 85 unq 0 iso 0 dist 7.33422 7.54568 6.85215 7.7068 6.33204 4.93735 10.1164 14.9249 9.39864 11.2056 numMergedOcc 0
36 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 6.99446 6.29394 5.37917 4.85907 8.56342 6.52773 7.64052 numMergedOcc 0
37 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 7.64052 6.29394 5.37917 4.85907 7.99857 9.11344 6.99446 numMergedOcc 0
38 mol 119 unq 2 iso 0 dist 6.37542 6.52773 4.86811 7.64052 9.64502 5.37917 4.85907 10.4631 9.11344 6.99446 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 7.05695 8.1007 3.78314 14.5862 14.713 8.73217 10.8806 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 6.61112 8.58039 4.03697 14.5862 19.2622 7.76163 11.651 numMergedOcc 0
41 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 7.41662 9.48862 8.90504 10.7531 7.62942 9.26504 16.1768 numMergedOcc 0
42 mol 195 unq 1 iso 0 dist 7.62942 9.26504 6.0634 9.03441 8.89297 8.29668 10.7531 6.60567 7.36683 14.2497 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 7.32982 9.24557 4.77308 9.72188 13.0611 17.1065 10.0191 6.66971 7.57812 14.4013 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 8.55558 7.08526 6.31909 5.85442 7.32929 4.47425 6.96053 10.5803 7.98231 10.3406 numMergedOcc 0
45 mol 259 unq 1 iso 0 dist 8.55558 7.08526 6.31909 6.95511 9.55426 4.10176 6.96053 10.5803 7.98231 9.46361 numMergedOcc 0
