0 mol 0 unq 0 iso 0 dist 7.65806 9.72725 6.0225 8.29174 9.67081 14.6538 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 9.87885 12.8323 13.5229 7.78327 17.9276 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 4.61088 6.54358 4.10106 7.28643 8.68293 9.32171 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 4.61088 6.54358 4.10106 9.68636 6.84216 9.89425 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 8.66248 7.49157 12.089 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 7.95042 5.69214 6.73521 7.73794 10.4905 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.03987 7.99919 4.77954 9.92243 7.03372 11.6392 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.80331 6.6263 5.41726 12.6657 9.02471 12.649 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 6.20293 6.75943 5.41726 14.0654 9.02471 12.649 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 7.58835 9.33906 5.1274 5.84319 8.27463 12.4561 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 7.93183 9.4278 10.8756 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 7.32874 8.69057 5.61579 10.7675 9.4278 10.8756 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 6.64012 9.08221 4.00553 5.87468 6.79356 9.10675 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 10.7434 4.86198 9.92478 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 9.96708 9.10345 13.4212 10.7434 4.86198 15.6544 numMergedOcc 0
15 mol 72 unq 2 iso 0 dist 9.78528 9.55118 9.78221 10.7434 6.62699 9.92478 numMergedOcc 0
16 mol 72 unq 3 iso 0 dist 9.78528 9.10345 11.6634 10.7434 6.62699 15.6544 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 4.73407 6.23522 11.6307 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 6.97941 9.6952 8.66662 3.69293 7.61521 10.9358 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 7.95579 7.7068 6.36397 8.37717 9.01812 13.4949 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 9.33898 7.06939 4.3481 17.4771 8.85601 13.1158 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 9.64443 9.36001 5.31547 10.2467 8.85601 10.9088 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 9.03572 8.27883 4.99174 4.73066 7.51733 4.3439 numMergedOcc 0
23 mol 95 unq 1 iso 0 dist 9.03572 5.75428 4.46005 4.73066 7.51733 6.05855 numMergedOcc 0
24 mol 95 unq 2 iso 0 dist 9.03572 8.57395 8.28518 4.73066 7.51733 11.1729 numMergedOcc 0
25 mol 95 unq 3 iso 0 dist 9.03572 9.85409 15.917 4.73066 7.51733 14.5416 numMergedOcc 0
26 mol 95 unq 4 iso 0 dist 8.83255 8.27883 8.67311 4.73066 9.01607 4.3439 numMergedOcc 0
27 mol 95 unq 5 iso 0 dist 8.83255 5.75428 3.94293 4.73066 9.01607 6.05855 numMergedOcc 0
28 mol 95 unq 6 iso 0 dist 8.83255 8.57395 9.22202 4.73066 9.01607 11.1729 numMergedOcc 0
29 mol 95 unq 7 iso 0 dist 8.83255 9.85409 13.7484 4.73066 9.01607 14.5416 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 8.29813 7.92856 11.36 numMergedOcc 0
31 mol 98 unq 1 iso 0 dist 6.48948 5.92242 3.9764 13.2057 7.92856 11.36 numMergedOcc 0
32 mol 98 unq 2 iso 0 dist 6.48948 7.02507 7.03983 13.2057 7.92856 8.7081 numMergedOcc 0
33 mol 98 unq 3 iso 0 dist 6.10456 7.54889 10.4782 12.7473 7.92856 17.395 numMergedOcc 0
34 mol 98 unq 4 iso 0 dist 6.10456 5.2571 3.9764 12.7473 7.92856 11.36 numMergedOcc 0
35 mol 112 unq 0 iso 0 dist 7.71338 8.47988 6.95317 4.69658 6.87434 5.92828 numMergedOcc 0
36 mol 112 unq 1 iso 0 dist 7.71338 8.0427 7.57713 4.69658 6.87434 9.1247 numMergedOcc 0
37 mol 113 unq 0 iso 0 dist 5.86073 8.80934 5.70579 13.0914 9.59585 4.30875 numMergedOcc 0
38 mol 113 unq 1 iso 0 dist 5.86073 8.80934 5.70579 12.5818 9.7073 8.65807 numMergedOcc 0
39 mol 127 unq 0 iso 0 dist 9.30299 6.08673 12.8087 12.7606 5.39356 17.4196 numMergedOcc 0
40 mol 127 unq 1 iso 0 dist 9.30299 6.08673 12.8087 12.6193 9.92746 16.9845 numMergedOcc 0
41 mol 142 unq 0 iso 0 dist 9.2313 7.81207 4.67662 4.05822 8.04118 5.42679 numMergedOcc 0
42 mol 142 unq 1 iso 0 dist 9.2313 7.18002 13.5913 4.05822 8.04118 11.1832 numMergedOcc 0
43 mol 142 unq 2 iso 0 dist 5.31024 6.14151 4.67662 4.7832 8.04118 5.42679 numMergedOcc 0
44 mol 142 unq 3 iso 0 dist 7.73169 7.81207 5.81599 4.05822 8.39035 5.42679 numMergedOcc 0
45 mol 142 unq 4 iso 0 dist 7.73169 7.18002 9.99555 4.05822 8.39035 11.1832 numMergedOcc 0
46 mol 142 unq 5 iso 0 dist 7.26382 6.14151 5.81599 4.7832 8.39035 5.42679 numMergedOcc 0
47 mol 143 unq 0 iso 0 dist 5.99315 7.36975 13.1926 6.75249 8.64905 11.7801 numMergedOcc 0
48 mol 143 unq 1 iso 0 dist 5.99315 5.40637 7.39837 6.75249 8.64905 6.60366 numMergedOcc 0
49 mol 143 unq 2 iso 0 dist 5.99315 5.37047 4.78563 9.14188 8.99891 12.5751 numMergedOcc 0
50 mol 152 unq 0 iso 0 dist 5.87555 6.70693 4.94983 4.68615 6.79114 8.60651 numMergedOcc 0
51 mol 152 unq 1 iso 0 dist 5.87555 6.70693 4.94983 4.73288 7.59457 10.6225 numMergedOcc 0
52 mol 152 unq 2 iso 0 dist 8.56324 6.59889 5.39112 12.2243 9.00072 10.6225 numMergedOcc 0
53 mol 152 unq 3 iso 0 dist 8.56324 8.9192 4.84714 12.2243 9.00072 12.4493 numMergedOcc 0
54 mol 152 unq 4 iso 0 dist 6.70283 6.70693 5.39112 4.73288 9.00072 10.6225 numMergedOcc 0
55 mol 152 unq 5 iso 0 dist 8.67331 6.70693 9.67475 4.73288 7.55419 10.6225 numMergedOcc 0
56 mol 167 unq 0 iso 0 dist 9.87651 7.20495 7.87971 12.8624 5.36671 13.0085 numMergedOcc 0
57 mol 167 unq 1 iso 0 dist 9.87651 9.2289 12.0033 12.8624 5.36671 15.3259 numMergedOcc 0
58 mol 167 unq 2 iso 0 dist 9.87651 7.02548 11.6011 12.8624 5.36671 15.6111 numMergedOcc 0
59 mol 178 unq 0 iso 0 dist 6.69288 7.06025 6.42973 4.69387 4.72821 9.15383 numMergedOcc 0
60 mol 205 unq 0 iso 0 dist 7.26832 6.52816 13.514 13.3822 7.13783 19.8921 numMergedOcc 0
61 mol 222 unq 0 iso 0 dist 7.21333 5.56538 6.84862 8.89157 5.1609 8.88902 numMergedOcc 0
62 mol 222 unq 1 iso 0 dist 7.21333 7.48954 9.53117 8.89157 5.1609 9.83916 numMergedOcc 0
63 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 4.32238 4.43499 10.5638 numMergedOcc 0
64 mol 259 unq 0 iso 0 dist 5.30224 8.03219 4.04513 5.96249 9.18798 12.3781 numMergedOcc 0
65 mol 259 unq 1 iso 0 dist 5.30224 8.03219 4.04513 5.97386 8.25897 12.1864 numMergedOcc 0
66 mol 259 unq 2 iso 0 dist 5.30224 6.9899 7.09907 5.96249 9.18798 12.745 numMergedOcc 0
67 mol 259 unq 3 iso 0 dist 5.30224 6.9899 7.09907 5.97386 8.25897 10.838 numMergedOcc 0
68 mol 277 unq 0 iso 0 dist 9.7748 9.35539 11.4555 7.75371 5.69112 10.9065 numMergedOcc 0
69 mol 277 unq 1 iso 0 dist 9.7748 9.35539 11.4555 11.3546 7.2091 12.5292 numMergedOcc 0
70 mol 277 unq 2 iso 0 dist 9.7748 8.9682 17.6038 7.75371 5.69112 13.9096 numMergedOcc 0
71 mol 277 unq 3 iso 0 dist 9.7748 8.9682 17.6038 11.3546 7.2091 16.9668 numMergedOcc 0
72 mol 277 unq 4 iso 0 dist 9.7748 6.92711 14.772 7.75371 5.69112 11.5963 numMergedOcc 0
73 mol 277 unq 5 iso 0 dist 9.7748 6.92711 14.772 11.3546 7.2091 14.8995 numMergedOcc 0
74 mol 280 unq 0 iso 0 dist 6.53701 6.02353 4.90315 6.87492 6.01897 8.96231 numMergedOcc 0
75 mol 280 unq 1 iso 0 dist 6.0664 6.86234 4.90315 3.51781 6.01897 8.96231 numMergedOcc 0
