0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 6.56335 10.454 6.70071 5.5251 13.084 9.80614 7.2668 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 5.46498 7.63133 5.32694 6.56335 6.70071 10.454 5.5251 9.80614 13.084 7.2668 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.63133 8.71745 10.4155 6.56335 10.454 4.50891 5.5251 13.084 10.2909 7.2668 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 8.71745 7.63133 10.4155 6.56335 4.50891 10.454 5.5251 10.2909 13.084 7.2668 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 5.46498 8.71745 5.74188 6.56335 6.70071 4.50891 5.5251 9.80614 10.2909 7.2668 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 8.71745 5.46498 5.74188 6.56335 4.50891 6.70071 5.5251 10.2909 9.80614 7.2668 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.92532 12.3486 5.18512 10.8007 15.679 9.78944 7.48847 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 6.92532 5.18512 12.3486 10.8007 9.78944 15.679 7.48847 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 7.20519 4.54938 7.34551 6.92532 12.3486 5.18512 5.03957 12.1187 7.82074 6.36455 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 4.54938 7.20519 7.34551 6.92532 5.18512 12.3486 5.03957 7.82074 12.1187 6.36455 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 7.20519 6.864 7.07775 6.92532 12.3486 9.47529 10.8007 15.679 9.56313 7.48847 numMergedOcc 0
11 mol 19 unq 2 iso 1 dist 6.864 7.20519 7.07775 6.92532 9.47529 12.3486 10.8007 9.56313 15.679 7.48847 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 7.20519 6.864 7.07775 6.92532 12.3486 9.47529 5.03957 12.1187 11.0366 6.36455 numMergedOcc 0
13 mol 19 unq 3 iso 1 dist 6.864 7.20519 7.07775 6.92532 9.47529 12.3486 5.03957 11.0366 12.1187 6.36455 numMergedOcc 0
14 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 6.92532 5.18512 9.47529 10.8007 9.78944 9.56313 7.48847 numMergedOcc 0
15 mol 19 unq 2 iso 1 dist 6.864 4.54938 5.80928 6.92532 9.47529 5.18512 10.8007 9.56313 9.78944 7.48847 numMergedOcc 0
16 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 6.92532 5.18512 9.47529 5.03957 7.82074 11.0366 6.36455 numMergedOcc 0
17 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 6.92532 9.47529 5.18512 5.03957 11.0366 7.82074 6.36455 numMergedOcc 0
18 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 6.60423 6.00575 5.97304 7.05502 11.573 10.5273 7.83786 numMergedOcc 0
19 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 7.05502 10.5273 11.573 7.83786 numMergedOcc 0
20 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.90155 9.36158 10.1525 10.6808 13.7311 12.9968 5.81959 numMergedOcc 0
21 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 6.90155 10.1525 9.36158 10.6808 12.9968 13.7311 5.81959 numMergedOcc 0
22 mol 25 unq 1 iso 0 dist 7.31767 6.03987 4.51512 5.81959 7.63409 8.4666 10.6808 12.4135 11.6743 6.90155 numMergedOcc 0
23 mol 25 unq 1 iso 1 dist 6.03987 7.31767 4.51512 5.81959 8.4666 7.63409 10.6808 11.6743 12.4135 6.90155 numMergedOcc 0
24 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.60739 5.64171 9.06158 8.13395 10.5523 8.80331 9.93832 numMergedOcc 0
25 mol 43 unq 0 iso 1 dist 6.20293 5.73819 5.06502 8.60739 9.06158 5.64171 8.13395 8.80331 10.5523 9.93832 numMergedOcc 0
26 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 8.60739 5.64171 11.3891 8.13395 10.5523 14.7803 9.93832 numMergedOcc 0
27 mol 43 unq 1 iso 1 dist 8.93915 5.73819 5.89973 8.60739 11.3891 5.64171 8.13395 14.7803 10.5523 9.93832 numMergedOcc 0
28 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 8.60739 9.06158 11.3891 8.13395 8.80331 14.7803 9.93832 numMergedOcc 0
29 mol 43 unq 1 iso 1 dist 8.93915 6.20293 6.45462 8.60739 11.3891 9.06158 8.13395 14.7803 8.80331 9.93832 numMergedOcc 0
30 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 9.44459 5.73693 11.6164 5.24762 6.43774 11.2563 6.06454 numMergedOcc 0
31 mol 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 9.44459 11.6164 5.73693 5.24762 11.2563 6.43774 6.06454 numMergedOcc 0
32 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 7.04044 15.7304 8.26458 5.4148 10.2049 6.19304 8.73253 numMergedOcc 0
33 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 7.04044 8.26458 15.7304 5.4148 6.19304 10.2049 8.73253 numMergedOcc 0
34 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 7.04044 15.7304 8.35241 5.4148 10.2049 11.6369 8.73253 numMergedOcc 0
35 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 7.04044 8.35241 15.7304 5.4148 11.6369 10.2049 8.73253 numMergedOcc 0
36 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 7.04044 8.26458 8.35241 5.4148 6.19304 11.6369 8.73253 numMergedOcc 0
37 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 7.04044 8.35241 8.26458 5.4148 11.6369 6.19304 8.73253 numMergedOcc 0
38 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 7.1589 6.37974 5.08358 4.26409 11.3023 7.95579 8.00777 numMergedOcc 0
39 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 7.1589 5.08358 6.37974 4.26409 7.95579 11.3023 8.00777 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.20836 9.4027 5.12325 5.62899 11.7385 11.3835 7.36779 numMergedOcc 0
41 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 8.20836 5.12325 9.4027 5.62899 11.3835 11.7385 7.36779 numMergedOcc 0
42 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.28642 5.70788 9.35627 7.65448 10.399 8.56324 9.77552 numMergedOcc 0
43 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 8.28642 9.35627 5.70788 7.65448 8.56324 10.399 9.77552 numMergedOcc 0
44 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 8.28642 5.70788 11.2078 7.65448 10.399 14.1618 9.77552 numMergedOcc 0
45 mol 152 unq 1 iso 1 dist 8.67331 5.87555 5.54906 8.28642 11.2078 5.70788 7.65448 14.1618 10.399 9.77552 numMergedOcc 0
46 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 8.28642 9.35627 11.2078 7.65448 8.56324 14.1618 9.77552 numMergedOcc 0
47 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 8.28642 11.2078 9.35627 7.65448 14.1618 8.56324 9.77552 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.51749 13.8722 5.93488 10.1912 15.0228 9.09537 7.20392 numMergedOcc 0
49 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.51749 5.93488 13.8722 10.1912 9.09537 15.0228 7.20392 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 6.51749 13.8722 7.64267 10.1912 15.0228 12.9862 7.20392 numMergedOcc 0
51 mol 181 unq 1 iso 1 dist 9.15386 9.1374 12.1628 6.51749 7.64267 13.8722 10.1912 12.9862 15.0228 7.20392 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 5.98885 9.15386 5.16002 6.51749 5.93488 7.64267 10.1912 9.09537 12.9862 7.20392 numMergedOcc 0
53 mol 181 unq 1 iso 1 dist 9.15386 5.98885 5.16002 6.51749 7.64267 5.93488 10.1912 12.9862 9.09537 7.20392 numMergedOcc 0
54 mol 186 unq 0 iso 0 dist 8.87694 9.09754 9.50685 6.85302 8.90184 4.37002 5.74635 7.54065 10.7914 7.20574 numMergedOcc 0
55 mol 186 unq 0 iso 1 dist 9.09754 8.87694 9.50685 6.85302 4.37002 8.90184 5.74635 10.7914 7.54065 7.20574 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 5.22356 8.65997 10.8157 5.4694 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.38865 12.9587 11.0628 5.22356 10.8157 8.65997 5.4694 numMergedOcc 0
58 mol 229 unq 0 iso 0 dist 8.22528 7.03423 5.57838 8.92743 11.6847 9.62106 6.94172 14.4239 12.3823 8.08082 numMergedOcc 0
59 mol 229 unq 0 iso 1 dist 7.03423 8.22528 5.57838 8.92743 9.62106 11.6847 6.94172 12.3823 14.4239 8.08082 numMergedOcc 0
60 mol 229 unq 1 iso 0 dist 8.22528 7.03423 5.57838 8.92743 11.6847 9.62106 7.0298 11.7165 11.4362 5.77318 numMergedOcc 0
61 mol 229 unq 1 iso 1 dist 7.03423 8.22528 5.57838 8.92743 9.62106 11.6847 7.0298 11.4362 11.7165 5.77318 numMergedOcc 0
62 mol 229 unq 2 iso 0 dist 8.22528 7.03423 5.57838 8.92743 11.6847 9.62106 15.7694 19.5385 17.78 8.19603 numMergedOcc 0
63 mol 229 unq 2 iso 1 dist 7.03423 8.22528 5.57838 8.92743 9.62106 11.6847 15.7694 17.78 19.5385 8.19603 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 8.24186 11.7705 5.63086 8.59858 14.186 9.45579 7.56091 numMergedOcc 0
65 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 8.24186 5.63086 11.7705 8.59858 9.45579 14.186 7.56091 numMergedOcc 0
66 mol 234 unq 1 iso 0 dist 8.34494 6.56247 6.29886 8.24186 11.7705 5.63086 5.88703 12.9605 9.45496 7.5366 numMergedOcc 0
67 mol 234 unq 1 iso 1 dist 6.56247 8.34494 6.29886 8.24186 5.63086 11.7705 5.88703 9.45496 12.9605 7.5366 numMergedOcc 0
68 mol 234 unq 2 iso 0 dist 8.34494 9.36357 12.1694 8.24186 11.7705 5.6819 8.59858 14.186 12.4862 7.56091 numMergedOcc 0
69 mol 234 unq 2 iso 1 dist 9.36357 8.34494 12.1694 8.24186 5.6819 11.7705 8.59858 12.4862 14.186 7.56091 numMergedOcc 0
70 mol 234 unq 3 iso 0 dist 8.34494 9.36357 12.1694 8.24186 11.7705 5.6819 5.88703 12.9605 6.7625 7.5366 numMergedOcc 0
71 mol 234 unq 3 iso 1 dist 9.36357 8.34494 12.1694 8.24186 5.6819 11.7705 5.88703 6.7625 12.9605 7.5366 numMergedOcc 0
72 mol 234 unq 2 iso 0 dist 6.56247 9.36357 7.82322 8.24186 5.63086 5.6819 8.59858 9.45579 12.4862 7.56091 numMergedOcc 0
73 mol 234 unq 2 iso 1 dist 9.36357 6.56247 7.82322 8.24186 5.6819 5.63086 8.59858 12.4862 9.45579 7.56091 numMergedOcc 0
74 mol 234 unq 3 iso 0 dist 6.56247 9.36357 7.82322 8.24186 5.63086 5.6819 5.88703 9.45496 6.7625 7.5366 numMergedOcc 0
75 mol 234 unq 3 iso 1 dist 9.36357 6.56247 7.82322 8.24186 5.6819 5.63086 5.88703 6.7625 9.45496 7.5366 numMergedOcc 0
76 mol 234 unq 4 iso 0 dist 9.45496 6.7625 7.82322 7.5366 5.63086 5.6819 9.82284 9.45579 12.4862 7.56091 numMergedOcc 0
77 mol 234 unq 4 iso 1 dist 6.7625 9.45496 7.82322 7.5366 5.6819 5.63086 9.82284 12.4862 9.45579 7.56091 numMergedOcc 0
78 mol 234 unq 5 iso 0 dist 9.45496 6.7625 7.82322 7.5366 5.63086 5.6819 5.88703 6.56247 9.36357 8.24186 numMergedOcc 0
79 mol 234 unq 5 iso 1 dist 6.7625 9.45496 7.82322 7.5366 5.6819 5.63086 5.88703 9.36357 6.56247 8.24186 numMergedOcc 0
80 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 5.64181 10.216 7.83352 6.85126 12.6642 13.1583 7.61393 numMergedOcc 0
81 mol 238 unq 0 iso 1 dist 7.31233 6.22714 5.34096 5.64181 7.83352 10.216 6.85126 13.1583 12.6642 7.61393 numMergedOcc 0
82 mol 252 unq 0 iso 0 dist 8.1148 8.1715 8.41807 8.47784 5.89666 10.672 13.2361 14.2744 17.8419 8.66469 numMergedOcc 0
83 mol 252 unq 0 iso 1 dist 8.1715 8.1148 8.41807 8.47784 10.672 5.89666 13.2361 17.8419 14.2744 8.66469 numMergedOcc 0
84 mol 252 unq 1 iso 0 dist 8.1148 8.1715 8.41807 6.53679 11.056 5.23748 6.0987 8.33025 9.2288 7.50201 numMergedOcc 0
85 mol 252 unq 1 iso 1 dist 8.1715 8.1148 8.41807 6.53679 5.23748 11.056 6.0987 9.2288 8.33025 7.50201 numMergedOcc 0
86 mol 252 unq 2 iso 0 dist 8.33025 9.2288 8.41807 7.50201 11.056 5.23748 6.0987 8.1148 8.1715 6.53679 numMergedOcc 0
87 mol 252 unq 2 iso 1 dist 9.2288 8.33025 8.41807 7.50201 5.23748 11.056 6.0987 8.1715 8.1148 6.53679 numMergedOcc 0
88 mol 252 unq 3 iso 0 dist 8.33025 7.19638 14.9102 7.50201 11.056 7.63376 6.0987 8.1148 10.5136 6.53679 numMergedOcc 0
89 mol 252 unq 3 iso 1 dist 7.19638 8.33025 14.9102 7.50201 7.63376 11.056 6.0987 10.5136 8.1148 6.53679 numMergedOcc 0
90 mol 252 unq 3 iso 0 dist 9.2288 7.19638 11.7918 7.50201 5.23748 7.63376 6.0987 8.1715 10.5136 6.53679 numMergedOcc 0
91 mol 252 unq 3 iso 1 dist 7.19638 9.2288 11.7918 7.50201 7.63376 5.23748 6.0987 10.5136 8.1715 6.53679 numMergedOcc 0
92 mol 272 unq 0 iso 0 dist 8.33638 8.46116 5.40809 8.46061 8.7909 4.86504 8.12676 13.2494 9.97651 9.64269 numMergedOcc 0
93 mol 272 unq 0 iso 1 dist 8.46116 8.33638 5.40809 8.46061 4.86504 8.7909 8.12676 9.97651 13.2494 9.64269 numMergedOcc 0
94 mol 272 unq 1 iso 0 dist 8.33638 8.46116 5.40809 8.46061 8.7909 4.86504 7.34222 13.168 10.1698 6.88809 numMergedOcc 0
95 mol 272 unq 1 iso 1 dist 8.46116 8.33638 5.40809 8.46061 4.86504 8.7909 7.34222 10.1698 13.168 6.88809 numMergedOcc 0
