0 mol 2 unq 0 iso 0 dist 5.42021 9.33282 5.63974 9.39095 8.35692 13.6562 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.15006 9.33282 5.1624 9.39095 10.6458 13.6562 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.56259 9.96463 11.9348 8.44792 14.4547 15.5107 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 9.56259 9.96463 11.9348 4.94198 7.66496 8.34543 numMergedOcc 0
4 mol 10 unq 2 iso 0 dist 9.56259 9.96463 11.9348 9.62353 8.50202 5.06302 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 9.47718 9.98353 14.0277 8.79378 6.54685 11.8315 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 6.72531 7.40694 7.50273 8.572 3.44412 5.87697 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 5.81747 8.69443 13.5189 4.90216 4.82623 12.2061 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 5.81747 8.69443 13.5189 9.84217 8.76577 11.2603 numMergedOcc 0
9 mol 59 unq 2 iso 0 dist 6.81975 8.69443 12.1252 4.90216 6.24283 12.2061 numMergedOcc 0
10 mol 59 unq 3 iso 0 dist 6.81975 8.69443 12.1252 9.84217 5.00893 11.2603 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 9.53794 6.02034 10.2267 8.48827 17.4664 13.1307 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 9.53794 6.02034 10.2267 7.14048 16.6402 10.7383 numMergedOcc 0
13 mol 78 unq 2 iso 0 dist 9.84346 6.02034 11.4479 8.48827 15.9532 13.1307 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 9.84346 6.02034 11.4479 7.14048 14.6188 10.7383 numMergedOcc 0
15 mol 78 unq 4 iso 0 dist 9.46472 6.77808 11.4479 8.03895 15.9532 13.1307 numMergedOcc 0
16 mol 78 unq 5 iso 0 dist 9.46472 6.77808 11.4479 5.68873 14.6188 10.7383 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 7.74131 8.71103 9.0655 7.06029 6.82396 8.14479 numMergedOcc 0
18 mol 123 unq 0 iso 0 dist 8.71274 9.28454 7.14659 8.30974 11.1908 5.58056 numMergedOcc 0
19 mol 123 unq 1 iso 0 dist 8.71274 7.97266 4.10446 8.30974 11.1908 10.0663 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 9.0455 8.63018 4.99299 7.84813 3.54691 6.14663 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 7.12336 6.23615 12.4479 8.52036 5.56456 11.2135 numMergedOcc 0
22 mol 183 unq 0 iso 0 dist 8.15747 5.83335 4.07773 7.16035 13.3248 9.54202 numMergedOcc 0
23 mol 183 unq 1 iso 0 dist 8.15747 5.83335 4.07773 6.2675 9.03854 4.96829 numMergedOcc 0
24 mol 183 unq 2 iso 0 dist 8.15747 9.92635 16.0056 7.16035 13.3248 10.7786 numMergedOcc 0
25 mol 183 unq 3 iso 0 dist 8.15747 9.92635 16.0056 6.2675 9.03854 14.145 numMergedOcc 0
26 mol 183 unq 4 iso 0 dist 8.74903 9.86506 5.7389 9.61725 13.3248 16.7354 numMergedOcc 0
27 mol 183 unq 5 iso 0 dist 8.74903 9.86506 5.7389 9.52042 9.03854 13.683 numMergedOcc 0
28 mol 183 unq 6 iso 0 dist 8.74903 7.86724 4.07773 9.61725 13.3248 9.54202 numMergedOcc 0
29 mol 183 unq 7 iso 0 dist 8.74903 7.86724 4.07773 9.52042 9.03854 4.96829 numMergedOcc 0
30 mol 183 unq 8 iso 0 dist 8.74903 7.85507 16.0056 9.61725 13.3248 10.7786 numMergedOcc 0
31 mol 183 unq 9 iso 0 dist 8.74903 7.85507 16.0056 9.52042 9.03854 14.145 numMergedOcc 0
32 mol 183 unq 10 iso 0 dist 5.44125 5.83335 9.7245 7.16035 3.4049 9.54202 numMergedOcc 0
33 mol 183 unq 11 iso 0 dist 5.44125 5.83335 9.7245 6.2675 7.30851 4.96829 numMergedOcc 0
34 mol 183 unq 12 iso 0 dist 5.44125 9.92635 7.93856 7.16035 3.4049 10.7786 numMergedOcc 0
35 mol 183 unq 13 iso 0 dist 5.44125 9.92635 7.93856 6.2675 7.30851 14.145 numMergedOcc 0
36 mol 183 unq 14 iso 0 dist 7.11505 9.86506 15.6656 9.61725 3.4049 16.7354 numMergedOcc 0
37 mol 183 unq 15 iso 0 dist 7.11505 9.86506 15.6656 9.52042 7.30851 13.683 numMergedOcc 0
38 mol 183 unq 16 iso 0 dist 7.11505 7.86724 9.7245 9.61725 3.4049 9.54202 numMergedOcc 0
39 mol 183 unq 17 iso 0 dist 7.11505 7.86724 9.7245 9.52042 7.30851 4.96829 numMergedOcc 0
40 mol 183 unq 18 iso 0 dist 7.11505 7.85507 7.93856 9.61725 3.4049 10.7786 numMergedOcc 0
41 mol 183 unq 19 iso 0 dist 7.11505 7.85507 7.93856 9.52042 7.30851 14.145 numMergedOcc 0
42 mol 192 unq 0 iso 0 dist 9.80584 7.252 16.1821 5.05414 9.70184 9.52346 numMergedOcc 0
43 mol 192 unq 1 iso 0 dist 9.80584 7.252 16.1821 7.16964 13.6636 6.78691 numMergedOcc 0
44 mol 192 unq 2 iso 0 dist 7.95713 7.252 12.9121 5.05414 8.12818 9.52346 numMergedOcc 0
45 mol 192 unq 3 iso 0 dist 7.95713 7.252 12.9121 7.16964 10.7274 6.78691 numMergedOcc 0
46 mol 196 unq 0 iso 0 dist 8.86439 7.42783 7.36756 9.34759 6.16315 10.6969 numMergedOcc 0
47 mol 204 unq 0 iso 0 dist 9.91429 7.19213 7.76556 8.49554 5.04761 3.72258 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 9.16638 9.71082 13.6728 9.33969 5.28999 13.4178 numMergedOcc 0
49 mol 232 unq 1 iso 0 dist 9.16638 9.71082 13.6728 7.64079 10.1458 3.79439 numMergedOcc 0
50 mol 237 unq 0 iso 0 dist 7.66306 8.37331 4.68717 7.69237 6.51804 6.50729 numMergedOcc 0
51 mol 278 unq 0 iso 0 dist 9.60643 6.97456 9.0771 9.93392 7.09039 12.1009 numMergedOcc 0
52 mol 278 unq 1 iso 0 dist 7.79408 6.97456 4.47399 9.93392 10.8254 12.1009 numMergedOcc 0
53 mol 283 unq 0 iso 0 dist 8.36393 7.90132 12.3631 9.35302 15.5185 7.27864 numMergedOcc 0
54 mol 283 unq 1 iso 0 dist 8.36393 7.90132 12.3631 8.85163 6.35533 13.4741 numMergedOcc 0
55 mol 294 unq 0 iso 0 dist 8.89372 5.27236 8.00469 7.48987 11.5334 4.99494 numMergedOcc 0
56 mol 294 unq 1 iso 0 dist 8.89372 5.27236 8.00469 8.35637 5.98695 9.15036 numMergedOcc 0
