0 mol 2 unq 0 iso 0 dist 9.8324 14.0048 8.3726 17.7585 10.431 7.2721 numMergedOcc 0
1 mol 5 unq 0 iso 0 dist 6.81899 6.01866 6.86923 9.47911 10.7591 5.69239 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 9.22198 6.01866 9.95226 9.47911 10.9809 5.69239 numMergedOcc 0
3 mol 5 unq 2 iso 0 dist 8.91509 6.01866 4.60775 9.47911 3.91535 5.69239 numMergedOcc 0
4 mol 5 unq 3 iso 0 dist 7.89217 6.01866 8.64744 9.47911 6.94674 5.69239 numMergedOcc 0
5 mol 5 unq 4 iso 0 dist 6.99733 11.5915 8.64744 11.6542 6.94674 5.69239 numMergedOcc 0
6 mol 5 unq 5 iso 0 dist 8.81964 3.9731 8.49537 12.9534 14.7887 9.70883 numMergedOcc 0
7 mol 5 unq 6 iso 0 dist 8.81964 3.9731 8.49537 11.4698 8.65468 9.65565 numMergedOcc 0
8 mol 11 unq 0 iso 0 dist 8.22232 10.94 5.40468 10.3451 7.16699 6.83186 numMergedOcc 0
9 mol 11 unq 1 iso 0 dist 8.34508 7.93357 5.47299 9.41477 7.27588 6.83186 numMergedOcc 0
10 mol 28 unq 0 iso 0 dist 5.87633 6.73192 8.51428 11.2567 7.50035 9.89219 numMergedOcc 0
11 mol 28 unq 1 iso 0 dist 8.40467 7.431 8.92334 8.91922 9.71507 9.74532 numMergedOcc 0
12 mol 28 unq 2 iso 0 dist 8.48456 5.61871 5.42412 8.79638 9.64948 8.53424 numMergedOcc 0
13 mol 28 unq 3 iso 0 dist 8.48456 7.3517 8.09862 8.79638 9.64948 7.08766 numMergedOcc 0
14 mol 28 unq 4 iso 0 dist 8.48456 6.13016 8.89114 8.79638 9.64948 4.82199 numMergedOcc 0
15 mol 28 unq 5 iso 0 dist 7.24073 6.51048 8.97167 6.42785 10.1805 7.08766 numMergedOcc 0
16 mol 28 unq 6 iso 0 dist 7.24073 4.18951 8.8182 6.42785 10.1805 4.82199 numMergedOcc 0
17 mol 34 unq 0 iso 0 dist 7.50918 6.64208 8.73053 12.3441 8.52974 9.48125 numMergedOcc 0
18 mol 34 unq 1 iso 0 dist 9.18907 6.64208 7.07087 12.3441 5.27925 9.48125 numMergedOcc 0
19 mol 46 unq 0 iso 0 dist 7.43338 8.28528 7.44805 10.7521 6.81182 3.77542 numMergedOcc 0
20 mol 46 unq 1 iso 0 dist 7.43338 8.28528 7.44805 17.9678 16.1056 9.97314 numMergedOcc 0
21 mol 48 unq 0 iso 0 dist 9.78023 11.213 9.55284 11.5137 6.25072 5.54472 numMergedOcc 0
22 mol 48 unq 1 iso 0 dist 9.78023 11.213 9.55284 12.2006 3.72926 8.62369 numMergedOcc 0
23 mol 48 unq 2 iso 0 dist 9.78023 11.213 9.55284 12.1193 8.48678 6.5241 numMergedOcc 0
24 mol 48 unq 3 iso 0 dist 9.79657 10.6247 8.52681 17.681 10.4499 8.96151 numMergedOcc 0
25 mol 48 unq 4 iso 0 dist 9.79657 10.6247 8.52681 12.1193 6.44604 4.22002 numMergedOcc 0
26 mol 48 unq 5 iso 0 dist 9.79657 7.07594 9.98769 12.1193 6.44604 8.10774 numMergedOcc 0
27 mol 76 unq 0 iso 0 dist 9.26231 14.6307 9.50939 13.1652 8.58474 7.66068 numMergedOcc 0
28 mol 79 unq 0 iso 0 dist 9.8089 9.57279 6.64921 11.592 4.15002 4.15789 numMergedOcc 0
29 mol 79 unq 1 iso 0 dist 9.8089 9.57279 6.64921 14.3382 9.36535 4.808 numMergedOcc 0
30 mol 83 unq 0 iso 0 dist 7.9309 6.60457 5.13041 12.2134 4.48523 7.50925 numMergedOcc 0
31 mol 90 unq 0 iso 0 dist 7.94379 4.28396 7.01987 8.96446 6.65219 5.24346 numMergedOcc 0
32 mol 101 unq 0 iso 0 dist 9.60223 6.741 8.2549 12.2095 6.43467 8.19144 numMergedOcc 0
33 mol 101 unq 1 iso 0 dist 7.11476 4.80201 8.2549 6.54699 6.43467 8.19144 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 4.56886 7.67738 7.34765 7.382 3.82317 7.53342 numMergedOcc 0
35 mol 141 unq 0 iso 0 dist 8.5614 4.49266 5.28634 4.93944 6.1672 4.88514 numMergedOcc 0
36 mol 147 unq 0 iso 0 dist 9.61 6.68581 6.42361 8.92048 3.7035 3.82583 numMergedOcc 0
37 mol 147 unq 1 iso 0 dist 9.61 6.68581 6.42361 11.373 3.20279 8.25768 numMergedOcc 0
38 mol 147 unq 2 iso 0 dist 9.61 4.60169 7.4121 8.92048 3.7035 5.19116 numMergedOcc 0
39 mol 147 unq 3 iso 0 dist 9.61 4.60169 7.4121 11.373 3.20279 8.71702 numMergedOcc 0
40 mol 158 unq 0 iso 0 dist 8.95432 17.2865 9.98554 13.961 7.59334 7.97228 numMergedOcc 0
41 mol 193 unq 0 iso 0 dist 7.71716 11.2707 9.73679 10.8116 4.8988 8.30069 numMergedOcc 0
42 mol 193 unq 1 iso 0 dist 8.71993 4.40965 9.73679 6.10013 4.8988 8.30069 numMergedOcc 0
43 mol 225 unq 0 iso 0 dist 7.0412 9.71885 6.35772 16.6732 11.0751 9.54529 numMergedOcc 0
44 mol 260 unq 0 iso 0 dist 8.13605 8.05498 4.76164 12.295 9.45061 8.62655 numMergedOcc 0
45 mol 287 unq 0 iso 0 dist 8.47385 10.2357 5.44942 9.66279 5.1451 6.24487 numMergedOcc 0
46 mol 287 unq 1 iso 0 dist 8.44356 10.2357 7.82157 9.66279 5.15725 6.24487 numMergedOcc 0
47 mol 287 unq 2 iso 0 dist 9.24592 10.326 5.55176 7.29668 5.13698 4.68668 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 8.47385 10.2357 5.44942 9.66279 5.1451 6.24487 numMergedOcc 0
49 mol 288 unq 1 iso 0 dist 8.44356 10.2357 7.82157 9.66279 5.15725 6.24487 numMergedOcc 0
50 mol 288 unq 2 iso 0 dist 9.24592 10.326 5.55176 7.29668 5.13698 4.68668 numMergedOcc 0
51 mol 289 unq 0 iso 0 dist 8.47385 10.2357 5.44942 9.66279 5.1451 6.24487 numMergedOcc 0
52 mol 289 unq 1 iso 0 dist 8.44356 10.2357 7.82157 9.66279 5.15725 6.24487 numMergedOcc 0
53 mol 289 unq 2 iso 0 dist 9.24592 10.326 5.55176 7.29668 5.13698 4.68668 numMergedOcc 0
