0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.2041 10.5461 5.72491 12.2333 13.2247 5.44992 7.10621 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 5.72491 5.44992 12.2041 12.2333 7.88043 10.5461 13.2247 10.2446 8.41585 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 5.03957 12.1187 6.36455 4.54938 7.34551 5.18512 7.82074 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 7.82074 6.36455 5.18512 5.03957 4.54938 6.92532 12.1187 7.34551 12.3486 7.20519 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.82074 6.36455 5.18512 5.03957 4.54938 6.92532 11.0366 5.80928 9.47529 6.864 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.864 6.92532 9.47529 5.03957 11.0366 6.36455 4.54938 5.80928 5.18512 7.82074 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 7.57578 6.90155 9.36158 10.6808 13.7311 5.81959 12.4135 10.8603 7.63409 7.31767 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 7.31767 5.81959 7.63409 10.6808 12.4135 6.90155 13.7311 10.8603 9.36158 7.57578 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 7.57578 6.90155 9.36158 10.6808 13.7311 5.81959 11.6743 11.9355 8.4666 6.03987 numMergedOcc 0
9 mol 25 unq 1 iso 1 dist 6.03987 5.81959 8.4666 10.6808 11.6743 6.90155 13.7311 11.9355 9.36158 7.57578 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 7.17969 6.90155 10.1525 10.6808 12.9968 5.81959 12.4135 10.8648 7.63409 7.31767 numMergedOcc 0
11 mol 25 unq 2 iso 1 dist 7.31767 5.81959 7.63409 10.6808 12.4135 6.90155 12.9968 10.8648 10.1525 7.17969 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 7.17969 6.90155 10.1525 10.6808 12.9968 5.81959 11.6743 10.2779 8.4666 6.03987 numMergedOcc 0
13 mol 25 unq 3 iso 1 dist 6.03987 5.81959 8.4666 10.6808 11.6743 6.90155 12.9968 10.2779 10.1525 7.17969 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 8.13395 10.5523 9.93832 6.20293 5.06502 9.06158 8.80331 numMergedOcc 0
15 mol 43 unq 0 iso 1 dist 8.80331 9.93832 9.06158 8.13395 6.20293 8.60739 10.5523 5.06502 5.64171 5.73819 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 8.80331 9.93832 9.06158 8.13395 6.20293 8.60739 14.7803 6.45462 11.3891 8.93915 numMergedOcc 0
17 mol 43 unq 1 iso 1 dist 8.93915 8.60739 11.3891 8.13395 14.7803 9.93832 6.20293 6.45462 9.06158 8.80331 numMergedOcc 0
18 mol 45 unq 0 iso 0 dist 6.43774 6.06454 5.73693 5.24762 7.2846 9.44459 11.2563 8.81358 11.6164 7.58835 numMergedOcc 0
19 mol 45 unq 0 iso 1 dist 7.58835 9.44459 11.6164 5.24762 11.2563 6.06454 7.2846 8.81358 5.73693 6.43774 numMergedOcc 0
20 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 12.2509 16.4714 9.96399 11.5843 10.6819 9.62257 8.33063 numMergedOcc 0
21 mol 60 unq 0 iso 1 dist 8.33063 9.96399 9.62257 12.2509 11.5843 8.82176 16.4714 10.6819 13.0114 8.90863 numMergedOcc 0
22 mol 60 unq 1 iso 0 dist 8.90863 8.82176 13.0114 5.00018 11.1899 7.55695 11.5843 10.6819 9.62257 8.7531 numMergedOcc 0
23 mol 60 unq 1 iso 1 dist 8.7531 7.55695 9.62257 5.00018 11.5843 8.82176 11.1899 10.6819 13.0114 8.90863 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 5.4148 10.2049 8.73253 9.96396 15.7123 8.26458 6.19304 numMergedOcc 0
25 mol 73 unq 0 iso 1 dist 6.19304 8.73253 8.26458 5.4148 9.96396 7.04044 10.2049 15.7123 15.7304 9.38498 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 6.19304 8.73253 8.26458 5.4148 9.96396 7.04044 11.6369 12.016 8.35241 9.75218 numMergedOcc 0
27 mol 73 unq 1 iso 1 dist 9.75218 7.04044 8.35241 5.4148 11.6369 8.73253 9.96396 12.016 8.26458 6.19304 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 4.26409 11.3023 8.00777 6.19965 5.42586 5.08358 7.95579 numMergedOcc 0
29 mol 85 unq 0 iso 1 dist 7.95579 8.00777 5.08358 4.26409 6.19965 7.1589 11.3023 5.42586 6.37974 7.97049 numMergedOcc 0
30 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 5.0812 12.603 9.92283 13.9874 20.4252 17.3924 9.60462 numMergedOcc 0
31 mol 112 unq 0 iso 1 dist 9.60462 9.92283 17.3924 5.0812 13.9874 6.43433 12.603 20.4252 8.56707 7.71338 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 4.85907 10.3704 7.99857 12.6489 12.4603 7.61939 9.87172 numMergedOcc 0
33 mol 119 unq 0 iso 1 dist 9.87172 7.99857 7.61939 4.85907 12.6489 8.56342 10.3704 12.4603 4.91132 8.73993 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 7.65448 10.399 9.77552 6.70283 5.42328 9.35627 8.56324 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 8.56324 9.77552 9.35627 7.65448 6.70283 8.28642 10.399 5.42328 5.70788 5.87555 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 8.56324 9.77552 9.35627 7.65448 6.70283 8.28642 14.1618 6.4896 11.2078 8.67331 numMergedOcc 0
37 mol 152 unq 1 iso 1 dist 8.67331 8.28642 11.2078 7.65448 14.1618 9.77552 6.70283 6.4896 9.35627 8.56324 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 10.1912 15.0228 7.20392 5.98885 8.88798 5.93488 9.09537 numMergedOcc 0
39 mol 181 unq 0 iso 1 dist 9.09537 7.20392 5.93488 10.1912 5.98885 6.51749 15.0228 8.88798 13.8722 9.1374 numMergedOcc 0
40 mol 181 unq 1 iso 0 dist 9.09537 7.20392 5.93488 10.1912 5.98885 6.51749 12.9862 5.16002 7.64267 9.15386 numMergedOcc 0
41 mol 181 unq 1 iso 1 dist 9.15386 6.51749 7.64267 10.1912 12.9862 7.20392 5.98885 5.16002 5.93488 9.09537 numMergedOcc 0
42 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 5.74635 8.87694 6.85302 10.7914 9.50685 4.37002 9.09754 numMergedOcc 0
43 mol 186 unq 0 iso 1 dist 9.09754 6.85302 4.37002 5.74635 10.7914 7.20574 8.87694 9.50685 8.90184 7.54065 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 8.65997 5.4694 11.0628 5.22356 7.22101 8.38865 10.8157 4.39704 12.9587 7.09863 numMergedOcc 0
45 mol 227 unq 0 iso 1 dist 7.09863 8.38865 12.9587 5.22356 10.8157 5.4694 7.22101 4.39704 11.0628 8.65997 numMergedOcc 0
46 mol 229 unq 0 iso 0 dist 8.22528 8.92743 11.6847 7.0298 11.7165 5.77318 11.6115 8.36584 7.7339 9.87838 numMergedOcc 0
47 mol 229 unq 0 iso 1 dist 9.87838 5.77318 7.7339 7.0298 11.6115 8.92743 11.7165 8.36584 11.6847 8.22528 numMergedOcc 0
48 mol 229 unq 1 iso 0 dist 7.03423 8.92743 9.62106 7.0298 11.4362 5.77318 11.6115 9.5716 7.7339 9.87838 numMergedOcc 0
49 mol 229 unq 1 iso 1 dist 9.87838 5.77318 7.7339 7.0298 11.6115 8.92743 11.4362 9.5716 9.62106 7.03423 numMergedOcc 0
50 mol 234 unq 0 iso 0 dist 8.34494 8.24186 11.7705 5.88703 12.9605 7.5366 6.56247 6.29886 5.63086 9.45496 numMergedOcc 0
51 mol 234 unq 0 iso 1 dist 9.45496 7.5366 5.63086 5.88703 6.56247 8.24186 12.9605 6.29886 11.7705 8.34494 numMergedOcc 0
52 mol 234 unq 1 iso 0 dist 8.34494 8.24186 11.7705 5.88703 12.9605 7.5366 9.36357 12.1694 5.6819 6.7625 numMergedOcc 0
53 mol 234 unq 1 iso 1 dist 6.7625 7.5366 5.6819 5.88703 9.36357 8.24186 12.9605 12.1694 11.7705 8.34494 numMergedOcc 0
54 mol 234 unq 2 iso 0 dist 6.56247 8.24186 5.63086 5.88703 9.45496 7.5366 9.36357 7.82322 5.6819 6.7625 numMergedOcc 0
55 mol 234 unq 2 iso 1 dist 6.7625 7.5366 5.6819 5.88703 9.36357 8.24186 9.45496 7.82322 5.63086 6.56247 numMergedOcc 0
56 mol 234 unq 3 iso 0 dist 9.36357 8.24186 5.6819 5.88703 6.7625 7.5366 6.56247 7.82322 5.63086 9.45496 numMergedOcc 0
57 mol 234 unq 3 iso 1 dist 9.45496 7.5366 5.63086 5.88703 6.56247 8.24186 6.7625 7.82322 5.6819 9.36357 numMergedOcc 0
58 mol 252 unq 0 iso 0 dist 8.1148 6.53679 11.056 6.0987 8.33025 7.50201 8.1715 8.41807 5.23748 9.2288 numMergedOcc 0
59 mol 252 unq 0 iso 1 dist 9.2288 7.50201 5.23748 6.0987 8.1715 6.53679 8.33025 8.41807 11.056 8.1148 numMergedOcc 0
60 mol 252 unq 1 iso 0 dist 8.1148 6.53679 11.056 6.0987 8.33025 7.50201 10.5136 14.9102 7.63376 7.19638 numMergedOcc 0
61 mol 252 unq 1 iso 1 dist 7.19638 7.50201 7.63376 6.0987 10.5136 6.53679 8.33025 14.9102 11.056 8.1148 numMergedOcc 0
62 mol 252 unq 2 iso 0 dist 8.1715 6.53679 5.23748 6.0987 9.2288 7.50201 8.1148 8.41807 11.056 8.33025 numMergedOcc 0
63 mol 252 unq 2 iso 1 dist 8.33025 7.50201 11.056 6.0987 8.1148 6.53679 9.2288 8.41807 5.23748 8.1715 numMergedOcc 0
64 mol 252 unq 3 iso 0 dist 8.1715 6.53679 5.23748 6.0987 9.2288 7.50201 10.5136 11.7918 7.63376 7.19638 numMergedOcc 0
65 mol 252 unq 3 iso 1 dist 7.19638 7.50201 7.63376 6.0987 10.5136 6.53679 9.2288 11.7918 5.23748 8.1715 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 9.98105 12.0576 8.59697 11.858 12.5353 7.31951 5.30224 numMergedOcc 0
67 mol 259 unq 0 iso 1 dist 5.30224 8.59697 7.31951 9.98105 11.858 8.55558 12.0576 12.5353 5.60748 7.46176 numMergedOcc 0
68 mol 272 unq 0 iso 0 dist 9.97651 9.64269 4.86504 8.12676 8.46116 8.46061 13.2494 5.40809 8.7909 8.33638 numMergedOcc 0
69 mol 272 unq 0 iso 1 dist 8.33638 8.46061 8.7909 8.12676 13.2494 9.64269 8.46116 5.40809 4.86504 9.97651 numMergedOcc 0
