0 mol 8 unq 0 iso 0 dist 7.92414 7.03958 8.07902 10.9495 13.6835 7.18019 6.56356 4.69349 4.1204 9.01112 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.92414 7.03958 8.07902 8.09332 11.2464 8.44009 6.56356 4.69349 4.1204 7.62333 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.82379 7.03958 5.65816 10.9495 10.6335 7.18019 6.56356 8.64248 4.1204 9.01112 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.82379 7.03958 5.65816 8.09332 11.7258 8.44009 6.56356 8.64248 4.1204 7.62333 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 12.536 8.64248 4.1204 6.56356 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 7.3915 8.53529 5.65816 8.4069 10.6335 7.18019 12.536 8.64248 4.1204 9.01112 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 7.3915 8.53529 5.65816 12.9016 11.7258 8.44009 12.536 8.64248 4.1204 7.62333 numMergedOcc 0
7 mol 9 unq 0 iso 0 dist 7.9944 6.55811 4.58685 6.14147 10.8213 7.32257 13.3228 13.5644 10.6575 8.30653 numMergedOcc 0
8 mol 9 unq 1 iso 0 dist 7.032 8.64915 4.58685 10.5747 10.8213 7.32257 16.2613 13.5644 10.6575 8.30653 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 11.4989 14.156 6.73939 17.6792 20.5712 12.5545 6.6219 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 11.4989 14.156 6.73939 12.5088 13.8334 4.08755 5.68215 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 4.93188 8.70827 9.75636 12.3067 9.24958 9.12854 10.4135 7.55689 9.86385 8.87744 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 4.93188 8.70827 9.75636 12.3067 9.24958 9.12854 9.33482 5.11135 10.4353 7.27472 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 4.93188 6.73939 10.0715 11.4989 13.0257 9.41441 10.9113 9.57743 10.0453 7.95042 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 9.24958 9.12854 9.75636 12.3067 4.93188 8.70827 11.0181 8.32592 4.04519 6.6219 numMergedOcc 0
15 mol 24 unq 6 iso 0 dist 9.24958 9.12854 9.75636 12.3067 4.93188 8.70827 17.003 8.10397 13.7009 5.68215 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 5.81959 8.6653 6.61233 10.6808 6.90155 7.92503 11.4732 6.86525 11.0175 4.79873 numMergedOcc 0
17 mol 25 unq 1 iso 0 dist 5.81959 8.6653 6.61233 10.6808 6.90155 7.92503 17.8732 13.7717 10.2758 9.48085 numMergedOcc 0
18 mol 25 unq 2 iso 0 dist 6.90155 6.16347 11.0508 10.9391 17.3821 7.45383 11.037 15.8509 4.98822 6.55597 numMergedOcc 0
19 mol 25 unq 3 iso 0 dist 6.90155 6.16347 11.0508 10.9391 17.3821 7.45383 16.4232 22.0396 11.0227 7.52933 numMergedOcc 0
20 mol 25 unq 4 iso 0 dist 6.90155 6.16347 11.0508 10.9391 17.3821 7.45383 14.581 18.4231 10.3547 9.71956 numMergedOcc 0
21 mol 25 unq 5 iso 0 dist 6.90155 6.16347 11.0508 10.9391 17.3821 7.45383 13.0315 17.5734 7.91914 7.07751 numMergedOcc 0
22 mol 25 unq 6 iso 0 dist 6.90155 6.16347 11.0508 10.9391 17.3821 7.45383 17.2964 22.5028 11.7069 8.23761 numMergedOcc 0
23 mol 25 unq 7 iso 0 dist 6.90155 6.16347 11.0508 10.9391 17.3821 7.45383 9.48085 13.7717 9.62058 9.49421 numMergedOcc 0
24 mol 25 unq 8 iso 0 dist 6.90155 7.92503 6.61233 10.6808 5.81959 8.6653 16.617 11.4877 10.8122 7.6114 numMergedOcc 0
25 mol 25 unq 9 iso 0 dist 6.6492 7.45383 11.7817 10.9391 16.357 6.16347 12.3944 17.2422 5.46578 4.79873 numMergedOcc 0
26 mol 25 unq 10 iso 0 dist 6.6492 7.45383 11.7817 10.9391 16.357 6.16347 9.49421 11.7199 9.62058 9.48085 numMergedOcc 0
27 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 11.4338 13.6237 7.23884 14.7009 19.3454 12.82 9.64383 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 5.74854 7.5242 8.53212 9.30161 13.6237 7.23884 16.3626 19.3454 12.82 9.64383 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.85907 8.56342 6.52773 6.99446 6.29394 5.37917 7.64052 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 4.85907 7.99857 9.11344 7.64052 6.29394 5.37917 6.99446 numMergedOcc 0
31 mol 119 unq 2 iso 0 dist 6.37542 6.52773 4.86811 4.85907 10.4631 9.11344 7.64052 9.64502 5.37917 6.99446 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 14.5862 14.713 8.73217 11.651 9.435 4.03697 6.61112 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 14.5862 19.2622 7.76163 10.8806 13.4527 3.78314 7.05695 numMergedOcc 0
34 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 10.7531 7.62942 9.26504 14.2497 8.89297 8.29668 9.03441 numMergedOcc 0
35 mol 195 unq 1 iso 0 dist 7.62942 9.26504 6.0634 10.7531 6.60567 7.36683 16.1768 9.48862 8.90504 7.41662 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 10.0191 7.32982 9.24557 14.4013 13.0611 17.1065 9.72188 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 8.55558 7.08526 6.31909 6.96053 10.5803 7.98231 6.95511 9.55426 4.10176 9.46361 numMergedOcc 0
