0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99459 6.88805 8.0744 14.7759 9.68596 11.024 10.3333 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99459 6.88805 11.7002 14.7759 9.68596 15.0497 10.3333 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.95042 5.69214 4.47891 4.32034 7.33768 9.69752 10.8435 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 7.95042 5.69214 4.47891 8.67951 9.01567 12.7806 10.8068 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.86014 6.60423 6.00575 7.95042 5.69214 4.47891 8.52463 7.29868 9.36461 5.80953 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.86116 6.72502 6.58998 8.09311 11.6226 9.94429 14.012 9.41441 11.5841 19.932 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.86116 6.72502 6.58998 9.05357 13.1949 6.88355 14.012 9.41441 11.5841 17.7407 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 8.52463 8.60554 9.36461 5.80953 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 10.971 8.44664 11.9865 12.8213 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 13.4893 9.44691 14.4545 11.7489 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 5.11617 8.4051 4.90592 11.3231 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 13.1779 8.23446 9.32328 11.3777 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 10.8238 8.75662 8.16324 13.0711 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 5.11617 8.4051 4.90592 6.61696 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 13.1779 8.23446 9.32328 16.1924 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 10.8238 8.75662 8.16324 15.3807 numMergedOcc 0
16 mol 24 unq 14 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 13.2229 8.4051 4.90592 12.3034 numMergedOcc 0
17 mol 24 unq 15 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 6.38336 8.23446 9.32328 4.5711 numMergedOcc 0
18 mol 24 unq 16 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 6.7828 8.75662 8.16324 12.6707 numMergedOcc 0
19 mol 24 unq 17 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 13.2229 8.4051 4.90592 9.84204 numMergedOcc 0
20 mol 24 unq 18 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 6.38336 8.23446 9.32328 4.44526 numMergedOcc 0
21 mol 24 unq 19 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 6.7828 8.75662 8.16324 9.586 numMergedOcc 0
22 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 7.52933 5.03027 7.41888 5.77929 8.87757 11.4352 12.7995 numMergedOcc 0
23 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 6.55597 4.69295 8.89681 5.77929 8.87757 11.4352 9.16515 numMergedOcc 0
24 mol 25 unq 2 iso 0 dist 5.04899 6.6492 9.20601 9.71956 12.2542 6.97709 5.77929 8.87757 11.4352 11.5214 numMergedOcc 0
25 mol 25 unq 3 iso 0 dist 5.04899 6.6492 9.20601 7.07751 8.79309 5.5511 5.77929 8.87757 11.4352 9.82987 numMergedOcc 0
26 mol 25 unq 4 iso 0 dist 5.04899 6.6492 9.20601 8.23761 8.17061 4.38027 5.77929 8.87757 11.4352 13.3492 numMergedOcc 0
27 mol 25 unq 5 iso 0 dist 5.04899 6.6492 9.20601 9.49421 13.6145 11.7199 5.77929 8.87757 11.4352 6.53269 numMergedOcc 0
28 mol 25 unq 6 iso 0 dist 7.57578 6.90155 9.36158 4.79873 10.2864 6.86525 6.08585 8.50222 12.7162 9.35791 numMergedOcc 0
29 mol 25 unq 7 iso 0 dist 7.57578 6.90155 9.36158 9.48085 5.18617 13.7717 6.08585 8.50222 12.7162 6.53269 numMergedOcc 0
30 mol 25 unq 8 iso 0 dist 7.17969 6.90155 10.1525 4.79873 11.4148 6.86525 6.08585 7.55264 12.7162 9.35791 numMergedOcc 0
31 mol 25 unq 9 iso 0 dist 7.17969 6.90155 10.1525 9.48085 5.68041 13.7717 6.08585 7.55264 12.7162 6.53269 numMergedOcc 0
32 mol 25 unq 10 iso 0 dist 6.03987 5.81959 8.4666 7.6114 5.86705 11.4877 5.68392 6.85556 11.3646 6.29797 numMergedOcc 0
33 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 6.6263 5.41726 4.55347 6.18002 8.95682 14.2655 10.3764 numMergedOcc 0
34 mol 43 unq 1 iso 0 dist 6.20293 8.60739 9.06158 6.75943 5.41726 4.55347 8.38399 8.95682 14.2655 10.3764 numMergedOcc 0
35 mol 73 unq 0 iso 0 dist 9.96396 7.04044 8.26458 9.73086 5.70116 7.8972 5.11416 9.24757 6.48232 6.14542 numMergedOcc 0
36 mol 73 unq 1 iso 0 dist 6.19304 8.73253 8.26458 8.68662 6.20232 10.9746 6.56633 9.24757 6.48232 8.96616 numMergedOcc 0
37 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 7.4369 5.70116 7.8972 6.56633 9.24757 6.48232 6.14542 numMergedOcc 0
38 mol 73 unq 3 iso 0 dist 8.70481 8.85586 14.8866 5.5087 11.2069 5.50891 15.3808 9.24757 17.0441 14.6027 numMergedOcc 0
39 mol 73 unq 4 iso 0 dist 8.70481 8.85586 14.8866 6.08682 10.6713 4.75954 15.3808 9.24757 17.0441 13.8591 numMergedOcc 0
40 mol 73 unq 5 iso 0 dist 8.70481 7.11 8.05119 5.5087 11.2069 7.50869 15.3808 9.24757 10.8937 14.6027 numMergedOcc 0
41 mol 73 unq 6 iso 0 dist 8.70481 7.11 8.05119 6.08682 10.6713 3.6807 15.3808 9.24757 10.8937 13.8591 numMergedOcc 0
42 mol 100 unq 0 iso 0 dist 7.47343 9.00544 14.9392 7.82475 5.9143 11.3766 12.2861 8.30845 20.8516 13.9449 numMergedOcc 0
43 mol 100 unq 1 iso 0 dist 7.47343 9.00544 14.9392 7.82475 5.9143 11.3766 15.5385 8.76378 21.7784 10.8812 numMergedOcc 0
44 mol 100 unq 2 iso 0 dist 7.47343 9.00544 14.9392 5.35782 5.47563 10.5056 12.2861 8.30845 20.8516 13.2383 numMergedOcc 0
45 mol 100 unq 3 iso 0 dist 7.47343 9.00544 14.9392 5.35782 5.47563 10.5056 15.5385 8.76378 21.7784 11.4348 numMergedOcc 0
46 mol 100 unq 4 iso 0 dist 7.47343 7.12017 12.6602 7.82475 5.9143 13.4027 12.2861 8.30845 13.9603 13.9449 numMergedOcc 0
47 mol 100 unq 5 iso 0 dist 7.47343 7.12017 12.6602 7.82475 5.9143 13.4027 15.5385 8.76378 21.4058 10.8812 numMergedOcc 0
48 mol 100 unq 6 iso 0 dist 7.47343 7.12017 12.6602 5.35782 5.47563 12.068 12.2861 8.30845 13.9603 13.2383 numMergedOcc 0
49 mol 100 unq 7 iso 0 dist 7.47343 7.12017 12.6602 5.35782 5.47563 12.068 15.5385 8.76378 21.4058 11.4348 numMergedOcc 0
50 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 5.58833 9.00231 7.06894 4.55551 6.28565 9.94578 9.8591 numMergedOcc 0
51 mol 129 unq 1 iso 0 dist 5.83384 8.03372 6.67948 5.58833 9.00231 7.06894 10.5488 7.58957 13.9747 15.5412 numMergedOcc 0
52 mol 131 unq 0 iso 0 dist 8.40312 8.86329 5.89022 9.27976 3.98662 5.30999 7.7567 9.90168 5.56627 10.0568 numMergedOcc 0
53 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 7.21868 8.06642 4.935 4.57832 6.23142 9.30061 9.0176 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 9.86662 8.20836 5.12325 7.21868 4.00092 4.935 4.57832 9.94764 9.30061 9.0176 numMergedOcc 0
55 mol 204 unq 0 iso 0 dist 8.51516 6.85441 5.74707 7.9133 5.57347 9.54203 5.86489 7.32294 5.91727 9.48625 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 6.35849 7.43071 14.3567 9.18728 numMergedOcc 0
57 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 10.9607 5.41321 12.135 8.91971 numMergedOcc 0
58 mol 227 unq 2 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 10.204 7.43071 14.3567 9.18728 numMergedOcc 0
59 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 9.72615 5.41321 12.135 8.91971 numMergedOcc 0
60 mol 227 unq 4 iso 0 dist 7.09863 8.38865 12.9587 5.23634 5.83175 7.3164 6.35849 6.02296 14.3567 9.18728 numMergedOcc 0
61 mol 229 unq 0 iso 0 dist 8.22528 8.92743 11.6847 7.27993 5.70473 6.93188 6.65022 8.66332 13.9637 9.37336 numMergedOcc 0
62 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 6.71524 5.10213 8.03712 4.9377 9.40808 6.57921 9.9183 numMergedOcc 0
