0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99972 12.0193 7.25346 14.7759 9.68596 11.024 14.5216 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99972 12.0193 10.0658 14.7759 9.68596 15.0497 14.5216 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.54938 6.92532 5.18512 7.75618 9.74255 13.9675 4.97119 6.41575 6.39966 9.95212 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.864 6.92532 9.47529 7.75618 7.08342 13.9675 4.97119 6.41423 6.39966 9.95212 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 9.41441 6.66749 11.9395 4.32034 7.33768 9.69752 8.00171 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 9.41441 6.66749 11.9395 8.67951 9.01567 12.7806 4.2121 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.86014 6.60423 6.00575 9.41441 6.66749 11.9395 8.52463 7.29868 9.36461 6.72323 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.86116 6.72502 6.58998 8.60554 8.52463 6.99746 14.012 9.41441 11.5841 6.72323 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.86116 6.72502 6.58998 8.44664 10.971 7.6844 14.012 9.41441 11.5841 18.7793 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 8.86116 6.72502 6.58998 9.44691 13.4893 7.05541 14.012 9.41441 11.5841 15.7523 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 8.86116 6.60423 5.97304 9.41441 14.012 11.9395 8.52463 8.60554 9.36461 6.72323 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 8.86116 6.60423 5.97304 9.41441 14.012 11.9395 10.971 8.44664 11.9865 18.7793 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 8.86116 6.60423 5.97304 9.41441 14.012 11.9395 13.4893 9.44691 14.4545 15.7523 numMergedOcc 0
13 mol 24 unq 9 iso 0 dist 5.54419 4.93188 4.33963 8.70827 5.59311 9.75636 5.11617 8.4051 4.90592 12.8389 numMergedOcc 0
14 mol 24 unq 10 iso 0 dist 5.54419 4.93188 4.33963 8.70827 5.59311 9.75636 13.1779 8.23446 9.32328 11.4596 numMergedOcc 0
15 mol 24 unq 11 iso 0 dist 5.54419 4.93188 4.33963 8.70827 5.59311 9.75636 10.8238 8.75662 8.16324 11.6684 numMergedOcc 0
16 mol 24 unq 12 iso 0 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 5.11617 8.4051 4.90592 6.72323 numMergedOcc 0
17 mol 24 unq 13 iso 0 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 13.1779 8.23446 9.32328 19.0465 numMergedOcc 0
18 mol 24 unq 14 iso 0 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 10.8238 8.75662 8.16324 15.7523 numMergedOcc 0
19 mol 24 unq 15 iso 0 dist 7.36323 9.24958 4.33963 9.12854 5.59311 9.75636 13.2229 8.4051 4.90592 12.8389 numMergedOcc 0
20 mol 24 unq 16 iso 0 dist 7.36323 9.24958 4.33963 9.12854 5.59311 9.75636 6.38336 8.23446 9.32328 11.4596 numMergedOcc 0
21 mol 24 unq 17 iso 0 dist 7.36323 9.24958 4.33963 9.12854 5.59311 9.75636 6.7828 8.75662 8.16324 11.6684 numMergedOcc 0
22 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 7.45383 7.33728 11.7817 5.77929 8.87757 11.4352 6.25843 numMergedOcc 0
23 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 9.01548 13.9331 9.12941 5.77929 8.87757 11.4352 8.88938 numMergedOcc 0
24 mol 25 unq 2 iso 0 dist 7.57578 6.90155 9.36158 6.16347 9.34396 11.0508 6.08585 8.50222 12.7162 6.25843 numMergedOcc 0
25 mol 25 unq 3 iso 0 dist 7.57578 6.90155 9.36158 7.92503 6.11127 6.61233 6.08585 8.50222 12.7162 11.4912 numMergedOcc 0
26 mol 25 unq 4 iso 0 dist 7.17969 6.90155 10.1525 6.16347 10.8498 11.0508 6.08585 7.55264 12.7162 6.25843 numMergedOcc 0
27 mol 25 unq 5 iso 0 dist 7.17969 6.90155 10.1525 7.92503 5.30154 6.61233 6.08585 7.55264 12.7162 11.4912 numMergedOcc 0
28 mol 25 unq 6 iso 0 dist 6.03987 5.81959 8.4666 8.6653 5.82503 6.61233 5.68392 6.85556 11.3646 12.0452 numMergedOcc 0
29 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 6.65501 4.4057 11.2092 7.06961 6.7117 8.43352 6.88901 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 6.10456 7.26086 6.934 6.65501 9.67482 11.2092 7.06961 4.47349 8.43352 6.88901 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 7.47343 9.00544 14.9392 7.38135 11.2312 5.46256 12.2861 8.30845 20.8516 17.21 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 7.47343 9.00544 14.9392 7.38135 11.2312 5.46256 15.5385 8.76378 21.7784 18.3027 numMergedOcc 0
33 mol 100 unq 2 iso 0 dist 7.47343 7.12017 12.6602 7.38135 11.2312 9.38256 12.2861 8.30845 13.9603 17.21 numMergedOcc 0
34 mol 100 unq 3 iso 0 dist 7.47343 7.12017 12.6602 7.38135 11.2312 9.38256 15.5385 8.76378 21.4058 18.3027 numMergedOcc 0
35 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 9.36851 10.7293 6.84211 4.55551 6.28565 9.94578 9.73158 numMergedOcc 0
36 mol 129 unq 1 iso 0 dist 5.83384 8.03372 6.67948 9.36851 10.7293 6.84211 10.5488 7.58957 13.9747 16.1714 numMergedOcc 0
37 mol 129 unq 2 iso 0 dist 5.83384 8.03372 6.67948 4.97175 7.29399 4.53459 4.55551 6.28565 9.94578 7.59327 numMergedOcc 0
38 mol 129 unq 3 iso 0 dist 5.83384 8.03372 6.67948 4.97175 7.29399 4.53459 10.5488 7.58957 13.9747 13.8117 numMergedOcc 0
39 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.70296 14.2045 10.8127 13.7237 9.90168 8.50562 18.6956 numMergedOcc 0
40 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 9.25558 5.09131 11.2516 13.7237 9.90168 8.50562 13.2952 numMergedOcc 0
41 mol 134 unq 0 iso 0 dist 6.54501 5.53031 5.35679 7.80532 7.41674 8.98004 5.71679 7.69991 10.0154 6.40575 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 6.49416 5.53031 8.46636 7.80532 9.87376 8.98004 5.71679 6.23142 10.0154 6.40575 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 8.90963 8.91338 13.0913 6.6251 6.2479 10.8541 12.1629 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 5.98885 6.51749 5.93488 8.90963 9.81073 13.0913 5.6044 9.72611 7.11785 10.515 numMergedOcc 0
45 mol 181 unq 2 iso 0 dist 5.98885 6.51749 5.93488 8.90963 9.81073 13.0913 6.6251 7.99195 10.8541 12.1629 numMergedOcc 0
46 mol 204 unq 0 iso 0 dist 8.51516 6.85441 5.74707 9.68728 10.8573 5.42649 5.86489 7.32294 5.91727 10.2072 numMergedOcc 0
47 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 5.44002 10.3603 8.46033 12.4957 6.03688 11.2584 15.3509 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 9.05071 8.80479 13.8622 4.9377 9.40808 6.57921 9.8664 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 9.85289 6.20558 5.36428 5.29529 8.52587 8.2997 6.88827 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 7.56915 8.49922 9.27829 9.85289 6.20558 11.9754 5.29529 8.52587 10.4781 6.88827 numMergedOcc 0
