0 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 9.88128 7.50258 7.34641 numMergedOcc 0
1 mol 29 unq 0 iso 1 dist 9.99467 9.88128 7.50258 5.97548 5.36278 7.34641 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.76585 6.95983 8.84944 11.3999 7.21995 12.0149 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 9.76585 11.3999 7.21995 6.95983 8.84944 12.0149 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 8.95571 11.806 9.24055 12.3757 9.66898 7.02539 numMergedOcc 0
5 mol 55 unq 0 iso 1 dist 8.95571 12.3757 9.66898 11.806 9.24055 7.02539 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 7.94667 9.38462 9.04549 4.09314 7.11706 10.665 numMergedOcc 0
7 mol 61 unq 0 iso 1 dist 7.94667 4.09314 7.11706 9.38462 9.04549 10.665 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 9.82294 7.89444 5.66803 18.0124 8.85416 12.1186 numMergedOcc 0
9 mol 64 unq 0 iso 1 dist 9.82294 18.0124 8.85416 7.89444 5.66803 12.1186 numMergedOcc 0
10 mol 67 unq 0 iso 0 dist 8.62244 10.5984 7.15248 9.67456 8.43162 5.55985 numMergedOcc 0
11 mol 67 unq 0 iso 1 dist 8.62244 9.67456 8.43162 10.5984 7.15248 5.55985 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.1622 17.0484 8.07498 12.3943 9.47045 11.7643 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 9.1622 12.3943 9.47045 17.0484 8.07498 11.7643 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 7.59013 14.8028 8.07498 9.57143 9.47045 11.7643 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 7.59013 9.57143 9.47045 14.8028 8.07498 11.7643 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 8.92491 8.04327 5.73235 14.685 7.48127 10.0928 numMergedOcc 0
17 mol 76 unq 0 iso 1 dist 8.92491 14.685 7.48127 8.04327 5.73235 10.0928 numMergedOcc 0
18 mol 76 unq 1 iso 0 dist 7.41861 7.7047 5.73235 4.00834 7.48127 10.0928 numMergedOcc 0
19 mol 76 unq 1 iso 1 dist 7.41861 4.00834 7.48127 7.7047 5.73235 10.0928 numMergedOcc 0
20 mol 79 unq 0 iso 0 dist 5.55798 7.95422 8.61089 6.05149 8.64686 12.6473 numMergedOcc 0
21 mol 79 unq 0 iso 1 dist 5.55798 6.05149 8.64686 7.95422 8.61089 12.6473 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 8.79677 11.5575 6.54778 4.66388 8.57909 8.36743 numMergedOcc 0
23 mol 114 unq 0 iso 1 dist 8.79677 4.66388 8.57909 11.5575 6.54778 8.36743 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 6.9268 8.75242 5.79195 14.0828 9.2759 12.1681 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 6.9268 14.0828 9.2759 8.75242 5.79195 12.1681 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 6.9268 8.75242 5.79195 15.4372 8.76088 9.34083 numMergedOcc 0
27 mol 133 unq 1 iso 1 dist 6.9268 15.4372 8.76088 8.75242 5.79195 9.34083 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 6.9268 14.0828 9.2759 15.4372 8.76088 11.2107 numMergedOcc 0
29 mol 133 unq 1 iso 1 dist 6.9268 15.4372 8.76088 14.0828 9.2759 11.2107 numMergedOcc 0
30 mol 133 unq 2 iso 0 dist 8.19166 6.45333 5.79195 11.5586 9.2759 12.1681 numMergedOcc 0
31 mol 133 unq 2 iso 1 dist 8.19166 11.5586 9.2759 6.45333 5.79195 12.1681 numMergedOcc 0
32 mol 133 unq 3 iso 0 dist 8.19166 6.45333 5.79195 14.3705 8.76088 9.34083 numMergedOcc 0
33 mol 133 unq 3 iso 1 dist 8.19166 14.3705 8.76088 6.45333 5.79195 9.34083 numMergedOcc 0
34 mol 133 unq 3 iso 0 dist 8.19166 11.5586 9.2759 14.3705 8.76088 11.2107 numMergedOcc 0
35 mol 133 unq 3 iso 1 dist 8.19166 14.3705 8.76088 11.5586 9.2759 11.2107 numMergedOcc 0
36 mol 139 unq 0 iso 0 dist 9.71665 5.61614 9.70154 4.94393 8.78382 9.781 numMergedOcc 0
37 mol 139 unq 0 iso 1 dist 9.71665 4.94393 8.78382 5.61614 9.70154 9.781 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 9.66811 7.14779 9.65031 9.85198 8.51844 11.2441 numMergedOcc 0
39 mol 152 unq 0 iso 1 dist 9.66811 9.85198 8.51844 7.14779 9.65031 11.2441 numMergedOcc 0
40 mol 162 unq 0 iso 0 dist 9.74749 10.4244 9.96586 5.55488 7.30751 10.1297 numMergedOcc 0
41 mol 162 unq 0 iso 1 dist 9.74749 5.55488 7.30751 10.4244 9.96586 10.1297 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 8.57666 10.4645 7.03107 6.623 7.30813 4.6893 numMergedOcc 0
43 mol 175 unq 0 iso 1 dist 8.57666 6.623 7.30813 10.4645 7.03107 4.6893 numMergedOcc 0
44 mol 189 unq 0 iso 0 dist 9.01418 10.2802 9.47321 4.79488 6.38294 8.74557 numMergedOcc 0
45 mol 189 unq 0 iso 1 dist 9.01418 4.79488 6.38294 10.2802 9.47321 8.74557 numMergedOcc 0
46 mol 239 unq 0 iso 0 dist 4.53228 10.9464 8.26312 6.54316 7.58554 7.99748 numMergedOcc 0
47 mol 239 unq 0 iso 1 dist 4.53228 6.54316 7.58554 10.9464 8.26312 7.99748 numMergedOcc 0
48 mol 239 unq 1 iso 0 dist 8.54078 10.4394 8.26312 6.2497 7.58554 7.99748 numMergedOcc 0
49 mol 239 unq 1 iso 1 dist 8.54078 6.2497 7.58554 10.4394 8.26312 7.99748 numMergedOcc 0
50 mol 243 unq 0 iso 0 dist 9.58608 14.2074 8.78924 5.80426 7.70472 10.9243 numMergedOcc 0
51 mol 243 unq 0 iso 1 dist 9.58608 5.80426 7.70472 14.2074 8.78924 10.9243 numMergedOcc 0
52 mol 245 unq 0 iso 0 dist 9.59668 5.43086 7.95061 14.5112 9.5096 15.2703 numMergedOcc 0
53 mol 245 unq 0 iso 1 dist 9.59668 14.5112 9.5096 5.43086 7.95061 15.2703 numMergedOcc 0
54 mol 250 unq 0 iso 0 dist 9.88044 7.15398 8.51703 6.13352 5.07895 6.53265 numMergedOcc 0
55 mol 250 unq 0 iso 1 dist 9.88044 6.13352 5.07895 7.15398 8.51703 6.53265 numMergedOcc 0
56 mol 258 unq 0 iso 0 dist 8.53084 4.80942 7.53199 11.0749 8.58092 8.76629 numMergedOcc 0
57 mol 258 unq 0 iso 1 dist 8.53084 11.0749 8.58092 4.80942 7.53199 8.76629 numMergedOcc 0
58 mol 258 unq 1 iso 0 dist 8.53084 4.80942 7.53199 5.81432 7.40014 5.62532 numMergedOcc 0
59 mol 258 unq 1 iso 1 dist 8.53084 5.81432 7.40014 4.80942 7.53199 5.62532 numMergedOcc 0
60 mol 258 unq 1 iso 0 dist 8.53084 11.0749 8.58092 5.81432 7.40014 5.64447 numMergedOcc 0
61 mol 258 unq 1 iso 1 dist 8.53084 5.81432 7.40014 11.0749 8.58092 5.64447 numMergedOcc 0
62 mol 258 unq 2 iso 0 dist 5.9223 10.1932 7.53199 9.26732 8.58092 8.76629 numMergedOcc 0
63 mol 258 unq 2 iso 1 dist 5.9223 9.26732 8.58092 10.1932 7.53199 8.76629 numMergedOcc 0
64 mol 258 unq 3 iso 0 dist 5.9223 10.1932 7.53199 6.72414 7.40014 5.62532 numMergedOcc 0
65 mol 258 unq 3 iso 1 dist 5.9223 6.72414 7.40014 10.1932 7.53199 5.62532 numMergedOcc 0
66 mol 258 unq 3 iso 0 dist 5.9223 9.26732 8.58092 6.72414 7.40014 5.64447 numMergedOcc 0
67 mol 258 unq 3 iso 1 dist 5.9223 6.72414 7.40014 9.26732 8.58092 5.64447 numMergedOcc 0
68 mol 266 unq 0 iso 0 dist 7.3055 6.1113 6.57444 14.487 9.39714 13.1611 numMergedOcc 0
69 mol 266 unq 0 iso 1 dist 7.3055 14.487 9.39714 6.1113 6.57444 13.1611 numMergedOcc 0
70 mol 294 unq 0 iso 0 dist 9.4943 5.71611 6.37998 7.88101 9.77023 8.23817 numMergedOcc 0
71 mol 294 unq 0 iso 1 dist 9.4943 7.88101 9.77023 5.71611 6.37998 8.23817 numMergedOcc 0
