0 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 12.2746 9.91086 6.31608 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 9.97507 7.48342 12.1303 12.2746 17.0279 6.31608 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 8.92779 12.0986 7.03544 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 9.76111 12.6643 6.93597 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 13.7992 16.3188 7.85986 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.86014 7.29868 8.52463 8.92779 12.0986 4.30252 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.86116 8.60554 8.52463 13.2846 16.3188 7.85986 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.86116 8.60554 8.52463 12.3897 12.0986 4.30252 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 8.38394 8.60554 12.3994 13.2846 19.2143 7.85986 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 8.38394 8.60554 12.3994 12.3897 16.6275 4.30252 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 5.54419 8.4051 5.11617 6.7846 8.23075 7.85986 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 5.54419 8.4051 5.11617 8.03955 4.7841 4.30252 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 5.54419 8.70827 5.59311 13.0224 11.0056 8.67426 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 7.36323 8.4051 13.2229 6.7846 10.551 7.85986 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 7.36323 8.4051 13.2229 8.03955 14.1707 4.30252 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 7.36323 9.12854 5.59311 10.0711 11.0056 8.67426 numMergedOcc 0
16 mol 54 unq 0 iso 0 dist 6.83299 6.14538 4.29856 7.15034 8.31068 5.27979 numMergedOcc 0
17 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 4.59417 9.23438 6.41008 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 6.62496 8.80614 9.95364 4.59417 9.9105 6.41008 numMergedOcc 0
19 mol 58 unq 2 iso 0 dist 6.35756 8.80614 5.49591 4.59417 7.17488 6.41008 numMergedOcc 0
20 mol 61 unq 0 iso 0 dist 6.65721 9.25641 13.5488 9.57611 15.0824 9.83914 numMergedOcc 0
21 mol 85 unq 0 iso 0 dist 7.97049 9.82915 9.29301 11.9949 15.4008 8.04853 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 7.97049 9.82915 9.29301 13.3089 12.1279 6.46549 numMergedOcc 0
23 mol 85 unq 2 iso 0 dist 7.47541 9.82915 13.5116 11.9949 16.4749 8.04853 numMergedOcc 0
24 mol 85 unq 3 iso 0 dist 7.47541 9.82915 13.5116 13.3089 14.5106 6.46549 numMergedOcc 0
25 mol 101 unq 0 iso 0 dist 6.57035 6.98314 5.53055 6.2696 10.7342 9.44645 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 15.3211 14.4591 7.40338 numMergedOcc 0
27 mol 113 unq 1 iso 0 dist 5.86073 9.66219 8.42718 13.0914 9.59585 5.35711 numMergedOcc 0
28 mol 113 unq 2 iso 0 dist 5.86073 9.66219 8.42718 15.3211 14.4591 6.23759 numMergedOcc 0
29 mol 129 unq 0 iso 0 dist 9.61051 6.28565 6.30169 10.3933 13.1959 8.98175 numMergedOcc 0
30 mol 129 unq 1 iso 0 dist 5.83384 6.28565 4.55551 10.3933 12.0878 8.98175 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 9.1374 8.90963 8.91338 11.618 11.8368 9.20617 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 5.98885 8.90963 9.81073 11.618 15.9184 9.20617 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 9.15386 8.90963 9.34211 11.618 17.4077 9.20617 numMergedOcc 0
34 mol 182 unq 0 iso 0 dist 9.31746 7.09394 9.37404 6.45169 15.5145 9.98182 numMergedOcc 0
35 mol 182 unq 1 iso 0 dist 9.31746 7.09394 9.37404 6.1548 11.7531 9.02127 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 6.03031 6.03688 8.15057 6.49049 11.5794 5.59832 numMergedOcc 0
37 mol 205 unq 1 iso 0 dist 7.26832 5.44002 10.3603 4.30308 9.44789 7.13824 numMergedOcc 0
38 mol 205 unq 2 iso 0 dist 7.26832 6.03688 12.4957 6.49049 13.4668 5.59832 numMergedOcc 0
39 mol 205 unq 3 iso 0 dist 7.80463 6.03688 6.09749 6.49049 8.26637 5.59832 numMergedOcc 0
40 mol 205 unq 4 iso 0 dist 9.61492 4.8668 9.13652 7.35363 13.8425 7.75318 numMergedOcc 0
41 mol 205 unq 5 iso 0 dist 7.45763 4.8668 5.8535 7.35363 12.5568 7.75318 numMergedOcc 0
42 mol 206 unq 0 iso 0 dist 8.02137 7.75885 12.7604 3.56132 11.2388 7.9416 numMergedOcc 0
43 mol 206 unq 1 iso 0 dist 7.7366 6.16414 6.45859 4.46135 11.1153 7.9416 numMergedOcc 0
44 mol 206 unq 2 iso 0 dist 9.774 7.75885 6.45859 3.56132 11.1153 7.9416 numMergedOcc 0
45 mol 222 unq 0 iso 0 dist 6.00706 9.07471 7.75466 6.70898 10.2446 9.30639 numMergedOcc 0
46 mol 222 unq 1 iso 0 dist 7.54212 9.07471 13.3447 6.70898 14.0871 9.30639 numMergedOcc 0
47 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 4.04428 8.25985 9.78273 numMergedOcc 0
48 mol 241 unq 0 iso 0 dist 7.4631 7.89524 4.45049 4.07839 10.0267 8.73192 numMergedOcc 0
49 mol 249 unq 0 iso 0 dist 7.57994 5.48118 10.7772 10.3504 14.0808 8.76518 numMergedOcc 0
50 mol 249 unq 1 iso 0 dist 6.18582 5.48118 7.04666 10.3504 12.9043 8.76518 numMergedOcc 0
51 mol 258 unq 0 iso 0 dist 6.60405 7.21311 5.63675 11.9728 12.3236 9.36974 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 12.5154 11.8311 8.09181 numMergedOcc 0
53 mol 278 unq 0 iso 0 dist 8.44326 8.00673 4.97614 13.7796 12.7641 8.1769 numMergedOcc 0
54 mol 278 unq 1 iso 0 dist 8.44326 8.00673 4.97614 10.2359 11.9592 7.1656 numMergedOcc 0
55 mol 292 unq 0 iso 0 dist 8.2734 7.07965 10.8848 7.22011 13.0682 5.91617 numMergedOcc 0
