0 mol 54 unq 0 iso 0 dist 6.77145 5.99879 8.52308 8.6777 5.40127 11.5541 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 4.87397 5.99879 7.47787 8.6777 9.22563 11.5541 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.40399 6.00684 4.25306 6.29267 7.3779 4.15002 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 8.40399 6.00684 4.25306 9.64361 6.08409 8.46282 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.66549 9.37034 13.2642 8.15861 13.2781 4.8069 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.66549 9.37034 13.2642 9.27814 7.41484 17.0484 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 9.66549 6.60091 14.6943 8.15861 13.2781 10.0178 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 9.66549 6.60091 14.6943 9.27814 7.41484 14.189 numMergedOcc 0
8 mol 96 unq 0 iso 0 dist 7.57442 9.25941 5.68957 7.22615 11.4071 11.9221 numMergedOcc 0
9 mol 96 unq 1 iso 0 dist 8.73938 9.25941 13.3291 7.22615 5.76401 11.9221 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 9.42444 9.42064 10.7349 9.75833 4.93451 10.1277 numMergedOcc 0
11 mol 103 unq 1 iso 0 dist 9.64736 9.42064 4.45483 9.75833 6.12524 10.1277 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 4.87856 5.56645 3.87295 6.40989 6.93445 4.37072 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 5.70772 9.89646 14.7037 8.94352 10.5092 10.0388 numMergedOcc 0
14 mol 233 unq 0 iso 0 dist 6.01193 9.46821 4.82614 6.45095 8.15592 12.8448 numMergedOcc 0
15 mol 233 unq 1 iso 0 dist 9.49046 7.91999 5.89828 8.7499 10.934 5.38659 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 9.8678 9.87436 6.95887 9.2684 9.75276 13.2589 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 9.8678 7.27283 9.81993 9.2684 9.75276 3.90822 numMergedOcc 0
18 mol 266 unq 2 iso 0 dist 8.00278 9.87436 4.67233 9.2684 12.1799 13.2589 numMergedOcc 0
19 mol 266 unq 3 iso 0 dist 8.00278 7.27283 10.9633 9.2684 12.1799 3.90822 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.96682 8.95153 5.02003 5.77565 7.72539 4.66969 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 9.96682 8.95153 5.02003 6.32853 8.78528 5.69247 numMergedOcc 0
22 mol 274 unq 2 iso 0 dist 9.96682 7.1255 10.1758 5.77565 7.72539 4.0143 numMergedOcc 0
23 mol 274 unq 3 iso 0 dist 9.96682 7.1255 10.1758 6.32853 8.78528 3.88948 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 8.28068 8.57375 4.01355 7.17276 6.35533 7.97597 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 8.19213 4.75392 9.71795 8.15636 8.78444 5.15725 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 8.19213 4.75392 9.71795 7.86292 3.7428 7.67235 numMergedOcc 0
27 mol 287 unq 2 iso 0 dist 8.19213 8.61667 11.3286 8.15636 8.78444 7.46917 numMergedOcc 0
28 mol 287 unq 3 iso 0 dist 8.19213 8.61667 11.3286 7.86292 3.7428 7.99757 numMergedOcc 0
29 mol 287 unq 4 iso 0 dist 5.80664 4.75392 8.74583 8.15636 12.0542 5.15725 numMergedOcc 0
30 mol 287 unq 5 iso 0 dist 5.80664 4.75392 8.74583 7.86292 8.10528 7.67235 numMergedOcc 0
31 mol 287 unq 6 iso 0 dist 5.80664 8.61667 9.70279 8.15636 12.0542 7.46917 numMergedOcc 0
32 mol 287 unq 7 iso 0 dist 5.80664 8.61667 9.70279 7.86292 8.10528 7.99757 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 8.19213 4.75392 9.71795 8.15636 8.78444 5.15725 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 8.19213 4.75392 9.71795 7.86292 3.7428 7.67235 numMergedOcc 0
35 mol 288 unq 2 iso 0 dist 8.19213 8.61667 11.3286 8.15636 8.78444 7.46917 numMergedOcc 0
36 mol 288 unq 3 iso 0 dist 8.19213 8.61667 11.3286 7.86292 3.7428 7.99757 numMergedOcc 0
37 mol 288 unq 4 iso 0 dist 5.80664 4.75392 8.74583 8.15636 12.0542 5.15725 numMergedOcc 0
38 mol 288 unq 5 iso 0 dist 5.80664 4.75392 8.74583 7.86292 8.10528 7.67235 numMergedOcc 0
39 mol 288 unq 6 iso 0 dist 5.80664 8.61667 9.70279 8.15636 12.0542 7.46917 numMergedOcc 0
40 mol 288 unq 7 iso 0 dist 5.80664 8.61667 9.70279 7.86292 8.10528 7.99757 numMergedOcc 0
41 mol 289 unq 0 iso 0 dist 8.19213 4.75392 9.71795 8.15636 8.78444 5.15725 numMergedOcc 0
42 mol 289 unq 1 iso 0 dist 8.19213 4.75392 9.71795 7.86292 3.7428 7.67235 numMergedOcc 0
43 mol 289 unq 2 iso 0 dist 8.19213 8.61667 11.3286 8.15636 8.78444 7.46917 numMergedOcc 0
44 mol 289 unq 3 iso 0 dist 8.19213 8.61667 11.3286 7.86292 3.7428 7.99757 numMergedOcc 0
45 mol 289 unq 4 iso 0 dist 5.80664 4.75392 8.74583 8.15636 12.0542 5.15725 numMergedOcc 0
46 mol 289 unq 5 iso 0 dist 5.80664 4.75392 8.74583 7.86292 8.10528 7.67235 numMergedOcc 0
47 mol 289 unq 6 iso 0 dist 5.80664 8.61667 9.70279 8.15636 12.0542 7.46917 numMergedOcc 0
48 mol 289 unq 7 iso 0 dist 5.80664 8.61667 9.70279 7.86292 8.10528 7.99757 numMergedOcc 0
49 mol 294 unq 0 iso 0 dist 8.74181 9.83567 11.2467 8.81999 4.93923 11.2327 numMergedOcc 0
50 mol 294 unq 1 iso 0 dist 8.74181 9.83567 11.2467 4.83062 10.0659 8.67831 numMergedOcc 0
51 mol 294 unq 2 iso 0 dist 8.74181 9.83567 11.2467 5.18334 12.3645 7.67189 numMergedOcc 0
52 mol 294 unq 3 iso 0 dist 8.74181 9.49433 4.84965 8.81999 4.93923 3.68964 numMergedOcc 0
53 mol 294 unq 4 iso 0 dist 8.74181 9.49433 4.84965 4.83062 10.0659 11.1096 numMergedOcc 0
54 mol 294 unq 5 iso 0 dist 8.74181 9.49433 4.84965 5.18334 12.3645 11.7731 numMergedOcc 0
55 mol 294 unq 6 iso 0 dist 8.96987 9.83567 11.3882 8.81999 10.6017 11.2327 numMergedOcc 0
56 mol 294 unq 7 iso 0 dist 8.96987 9.83567 11.3882 4.83062 7.2873 8.67831 numMergedOcc 0
57 mol 294 unq 8 iso 0 dist 8.96987 9.83567 11.3882 5.18334 11.3568 7.67189 numMergedOcc 0
58 mol 294 unq 9 iso 0 dist 8.96987 9.49433 9.56909 8.81999 10.6017 3.68964 numMergedOcc 0
59 mol 294 unq 10 iso 0 dist 8.96987 9.49433 9.56909 4.83062 7.2873 11.1096 numMergedOcc 0
60 mol 294 unq 11 iso 0 dist 8.96987 9.49433 9.56909 5.18334 11.3568 11.7731 numMergedOcc 0
