0 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 9.03359 8.04924 5.60154 11.071 6.20227 10.6533 6.21879 numMergedOcc 0
1 mol 120 unq 0 iso 0 dist 9.27951 5.89379 8.93905 9.70923 8.43028 8.94259 13.2271 9.23243 12.4334 4.07626 numMergedOcc 0
2 mol 148 unq 0 iso 0 dist 5.06687 5.59872 9.02318 11.6995 8.12589 12.144 3.78181 6.49708 5.29844 12.0468 numMergedOcc 0
3 mol 148 unq 1 iso 0 dist 5.06687 9.27313 9.74542 11.6995 8.12589 10.2478 3.78181 6.49708 6.55924 12.0468 numMergedOcc 0
4 mol 148 unq 2 iso 0 dist 5.06687 8.61198 7.97543 11.6995 8.12589 6.29254 3.78181 6.49708 9.61708 12.0468 numMergedOcc 0
5 mol 150 unq 0 iso 0 dist 5.09809 9.25213 9.6606 11.8035 8.11592 10.2318 3.72958 6.45018 6.62435 12.1191 numMergedOcc 0
6 mol 150 unq 1 iso 0 dist 5.09809 8.68422 7.85526 11.8035 8.11592 6.25747 3.72958 6.45018 9.72618 12.1191 numMergedOcc 0
7 mol 150 unq 2 iso 0 dist 5.09809 5.56996 8.94552 11.8035 8.11592 12.154 3.72958 6.45018 5.50847 12.1191 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 6.92225 9.86605 7.88319 5.49464 6.39981 6.63727 5.9424 9.38045 12.9396 6.39711 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 9.90625 10.6428 7.25742 8.34466 7.13269 4.57561 4.44253 8.02691 7.44124 7.15698 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 11.5684 9.77862 15.9311 9.86028 7.39369 11.1912 8.35231 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 7.47107 9.36943 8.12346 11.5684 9.77862 13.7758 9.86028 7.39369 6.11279 8.35231 numMergedOcc 0
12 mol 194 unq 2 iso 0 dist 7.47107 7.72655 8.83356 11.5684 9.77862 5.38925 9.86028 7.39369 9.99597 8.35231 numMergedOcc 0
13 mol 194 unq 3 iso 0 dist 7.47107 4.57265 8.2654 11.5684 9.77862 14.2415 9.86028 7.39369 9.50345 8.35231 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 9.86462 4.29962 8.0751 6.34706 6.23898 7.35842 10.27 6.45821 7.79008 7.51787 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 8.59036 7.29542 5.06326 16.1823 9.18343 11.7207 13.6736 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 4.71182 9.20589 9.60993 10.394 7.14633 6.21901 8.85098 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 8.12518 12.3465 8.38865 4.71182 9.20589 9.60993 12.4845 9.94302 13.798 13.7364 numMergedOcc 0
18 mol 227 unq 2 iso 0 dist 8.12518 12.3465 8.38865 7.51342 7.89801 13.3557 10.394 7.14633 6.21901 13.8875 numMergedOcc 0
19 mol 227 unq 3 iso 0 dist 8.12518 12.3465 8.38865 7.51342 7.89801 13.3557 12.4845 9.94302 13.798 5.45009 numMergedOcc 0
20 mol 227 unq 4 iso 0 dist 8.12518 7.2593 5.4694 4.71182 9.20589 5.34702 10.394 7.14633 6.29394 8.85098 numMergedOcc 0
21 mol 227 unq 5 iso 0 dist 8.12518 7.2593 5.4694 4.71182 9.20589 5.34702 12.4845 9.94302 10.9445 13.7364 numMergedOcc 0
22 mol 227 unq 6 iso 0 dist 8.12518 7.2593 5.4694 7.51342 7.89801 8.8709 10.394 7.14633 6.29394 13.8875 numMergedOcc 0
23 mol 227 unq 7 iso 0 dist 8.12518 7.2593 5.4694 7.51342 7.89801 8.8709 12.4845 9.94302 10.9445 5.45009 numMergedOcc 0
24 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 7.4874 8.33853 10.7371 10.8851 7.35934 11.6095 9.47269 numMergedOcc 0
25 mol 240 unq 1 iso 0 dist 8.44671 15.9853 9.47583 3.97303 5.66537 13.9225 10.8851 7.35934 11.6095 7.29448 numMergedOcc 0
26 mol 240 unq 2 iso 0 dist 8.44671 13.1893 8.44909 7.4874 8.33853 7.75407 10.8851 7.35934 11.9494 9.47269 numMergedOcc 0
27 mol 240 unq 3 iso 0 dist 8.44671 13.1893 8.44909 3.97303 5.66537 12.076 10.8851 7.35934 11.9494 7.29448 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 5.22349 8.32163 6.11473 7.31906 6.57207 4.23801 4.28835 6.5058 7.15243 4.17197 numMergedOcc 0
29 mol 252 unq 1 iso 0 dist 9.81593 8.32163 8.47784 7.31906 5.2361 4.23801 4.28835 6.77555 7.15243 4.17197 numMergedOcc 0
30 mol 252 unq 2 iso 0 dist 9.81593 8.32163 8.47784 12.2338 5.57515 13.6996 4.28835 6.77555 7.15243 9.43565 numMergedOcc 0
31 mol 252 unq 3 iso 0 dist 9.81593 8.32163 8.47784 14.2535 8.28694 15.4395 4.28835 6.77555 7.15243 10.6687 numMergedOcc 0
32 mol 252 unq 4 iso 0 dist 9.81593 10.6815 8.66469 7.31906 5.2361 9.12442 4.28835 6.77555 7.18984 4.17197 numMergedOcc 0
33 mol 252 unq 5 iso 0 dist 9.81593 10.6815 8.66469 12.2338 5.57515 7.35945 4.28835 6.77555 7.18984 9.43565 numMergedOcc 0
34 mol 252 unq 6 iso 0 dist 9.81593 10.6815 8.66469 14.2535 8.28694 5.26003 4.28835 6.77555 7.18984 10.6687 numMergedOcc 0
35 mol 252 unq 7 iso 0 dist 9.78248 16.5062 8.47784 12.8039 5.2361 4.23801 13.9287 6.77555 7.15243 4.17197 numMergedOcc 0
36 mol 252 unq 8 iso 0 dist 9.78248 16.5062 8.47784 8.32839 5.57515 13.6996 13.9287 6.77555 7.15243 9.43565 numMergedOcc 0
37 mol 252 unq 9 iso 0 dist 9.78248 16.5062 8.47784 5.63228 8.28694 15.4395 13.9287 6.77555 7.15243 10.6687 numMergedOcc 0
38 mol 252 unq 10 iso 0 dist 9.78248 9.67333 8.66469 12.8039 5.2361 9.12442 13.9287 6.77555 7.18984 4.17197 numMergedOcc 0
39 mol 252 unq 11 iso 0 dist 9.78248 9.67333 8.66469 8.32839 5.57515 7.35945 13.9287 6.77555 7.18984 9.43565 numMergedOcc 0
40 mol 252 unq 12 iso 0 dist 9.78248 9.67333 8.66469 5.63228 8.28694 5.26003 13.9287 6.77555 7.18984 10.6687 numMergedOcc 0
