0 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 10.1696 8.38394 6.44287 11.8618 5.11636 7.95042 10.9819 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.47617 15.1595 8.80331 8.14351 6.20293 8.13395 12.5916 5.41726 6.6263 6.75943 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.47617 8.14351 6.20293 15.1595 8.80331 8.13395 12.5916 5.41726 6.75943 6.6263 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 17.8295 11.3215 9.3948 19.7448 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 11.0421 5.06946 9.74607 11.97 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 17.8295 11.3215 9.3948 19.9408 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 11.0421 5.06946 9.74607 13.5721 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 4.31067 9.04817 5.08437 4.70157 6.48948 9.51923 5.44426 3.9764 5.10496 5.92242 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.31067 9.04817 5.08437 6.21302 6.10456 8.40073 5.44426 3.9764 5.10496 5.2571 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 4.31067 4.70157 6.48948 9.04817 5.08437 9.51923 5.44426 3.9764 5.92242 5.10496 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 4.31067 4.70157 6.48948 9.04817 5.08437 9.51923 7.63284 7.03983 7.02507 9.89095 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 4.31067 4.70157 6.48948 6.21302 6.10456 9.42358 5.44426 3.9764 5.92242 5.2571 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 4.31067 4.70157 6.48948 6.21302 6.10456 9.42358 7.63284 7.03983 7.02507 12.7417 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 4.31067 6.21302 6.10456 9.04817 5.08437 8.40073 10.877 10.4782 7.54889 9.81956 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 4.31067 6.21302 6.10456 9.04817 5.08437 8.40073 5.44426 3.9764 5.2571 5.10496 numMergedOcc 0
15 mol 98 unq 8 iso 0 dist 4.31067 6.21302 6.10456 4.70157 6.48948 9.42358 10.877 10.4782 7.54889 10.8223 numMergedOcc 0
16 mol 98 unq 9 iso 0 dist 4.31067 6.21302 6.10456 4.70157 6.48948 9.42358 5.44426 3.9764 5.2571 5.92242 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 6.86762 5.83991 7.69052 9.21978 6.63111 6.39384 9.42082 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 6.17349 4.48636 7.69765 13.4105 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 9.21978 6.63111 9.42082 6.39384 numMergedOcc 0
20 mol 115 unq 3 iso 0 dist 5.22628 10.0419 9.33865 6.8104 6.11741 8.02349 9.26505 6.95773 6.24825 10.0255 numMergedOcc 0
21 mol 127 unq 0 iso 0 dist 8.09965 11.3174 9.30299 8.45411 8.14887 7.30196 17.0406 12.8087 6.08673 12.1234 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 7.00798 5.57978 8.54584 6.05033 8.53613 4.61027 8.62413 12.1739 5.51197 9.97604 numMergedOcc 0
23 mol 129 unq 1 iso 0 dist 7.00798 5.57978 8.54584 6.05033 8.53613 4.61027 6.93102 5.63254 8.86944 11.1246 numMergedOcc 0
24 mol 129 unq 2 iso 0 dist 7.00798 5.57978 8.54584 6.05033 8.53613 4.61027 8.4375 8.26896 6.69691 10.5979 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 8.29673 9.35671 8.22656 5.78974 7.24514 6.65743 13.5739 6.9945 7.22643 10.4642 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 8.94909 6.80087 8.00618 8.76089 7.11802 8.18495 7.33743 15.0115 8.77023 12.5855 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 4.82496 8.87437 5.49936 12.8022 4.94983 6.70693 10.4895 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 9.0847 14.8573 8.56324 8.41711 6.70283 7.65448 12.8022 5.39112 6.59889 6.70693 numMergedOcc 0
29 mol 152 unq 2 iso 0 dist 9.0847 14.8573 8.56324 8.41711 6.70283 7.65448 13.3531 4.84714 8.9192 9.27706 numMergedOcc 0
30 mol 152 unq 3 iso 0 dist 9.0847 14.8573 8.56324 4.82496 7.16148 10.6875 12.8022 5.39112 6.59889 10.4895 numMergedOcc 0
31 mol 152 unq 4 iso 0 dist 9.0847 14.8573 8.56324 4.82496 7.16148 10.6875 13.3531 4.84714 8.9192 11.6735 numMergedOcc 0
32 mol 152 unq 5 iso 0 dist 9.0847 8.41711 6.70283 14.8573 8.56324 7.65448 12.8022 5.39112 6.70693 6.59889 numMergedOcc 0
33 mol 152 unq 6 iso 0 dist 9.0847 8.41711 6.70283 4.82496 7.16148 5.49936 12.8022 5.39112 6.70693 10.4895 numMergedOcc 0
34 mol 152 unq 7 iso 0 dist 6.00061 8.41711 8.67331 4.82496 8.05741 5.49936 12.8022 9.67475 6.70693 10.4895 numMergedOcc 0
35 mol 178 unq 0 iso 0 dist 7.14849 6.96904 6.69288 7.57303 6.43573 5.34677 5.4647 6.42973 7.06025 10.0638 numMergedOcc 0
36 mol 178 unq 1 iso 0 dist 7.14849 6.96904 6.69288 14.0459 7.17202 11.7381 5.4647 6.42973 7.06025 13.2692 numMergedOcc 0
37 mol 178 unq 2 iso 0 dist 7.14849 6.96904 6.69288 14.3001 8.81551 14.0703 5.4647 6.42973 7.06025 15.0672 numMergedOcc 0
38 mol 178 unq 3 iso 0 dist 8.63718 11.5509 6.69288 7.31401 6.43573 5.34677 14.8114 6.42973 7.06025 10.0638 numMergedOcc 0
39 mol 178 unq 4 iso 0 dist 8.63718 11.5509 6.69288 5.91018 7.17202 11.7381 14.8114 6.42973 7.06025 13.2692 numMergedOcc 0
40 mol 178 unq 5 iso 0 dist 8.63718 11.5509 6.69288 4.92895 8.81551 14.0703 14.8114 6.42973 7.06025 15.0672 numMergedOcc 0
41 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 6.73556 5.98885 8.88798 18.8712 12.9532 9.76212 13.2783 numMergedOcc 0
42 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 5.49666 9.15386 12.1628 18.8712 12.9532 9.76212 18.2853 numMergedOcc 0
43 mol 224 unq 0 iso 0 dist 8.47457 5.15333 6.65832 8.1404 6.60589 6.77699 11.4433 5.76843 6.99769 8.79428 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 8.47457 5.15333 6.65832 15.1783 9.16166 11.328 11.4433 5.76843 6.99769 6.8692 numMergedOcc 0
45 mol 224 unq 2 iso 0 dist 8.47457 8.1404 6.60589 5.15333 6.65832 6.77699 11.4433 5.76843 8.79428 6.99769 numMergedOcc 0
46 mol 224 unq 3 iso 0 dist 8.47457 8.1404 6.60589 15.1783 9.16166 8.49799 11.4433 5.76843 8.79428 6.8692 numMergedOcc 0
47 mol 224 unq 4 iso 0 dist 8.47457 15.1783 9.16166 5.15333 6.65832 11.328 11.4433 5.76843 6.8692 6.99769 numMergedOcc 0
48 mol 224 unq 5 iso 0 dist 8.47457 15.1783 9.16166 8.1404 6.60589 8.49799 11.4433 5.76843 6.8692 8.79428 numMergedOcc 0
49 mol 234 unq 0 iso 0 dist 7.17032 9.25445 9.45496 5.44278 6.56247 5.88703 15.858 12.4252 7.81215 11.6391 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 5.99187 5.87189 7.31233 5.74685 6.22714 5.34096 13.2221 10.3162 9.12776 8.69015 numMergedOcc 0
51 mol 248 unq 0 iso 0 dist 9.5107 11.8955 7.69895 6.97887 7.21521 5.55137 10.2557 4.58289 9.05018 9.33962 numMergedOcc 0
52 mol 248 unq 1 iso 0 dist 9.5107 11.8955 7.69895 5.78576 8.2965 10.8081 10.2557 4.58289 9.05018 11.4547 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 5.48552 8.53687 10.582 13.6039 12.2293 9.46361 18.7675 numMergedOcc 0
54 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 6.08432 7.84554 4.86771 13.6039 11.6988 9.46361 12.8903 numMergedOcc 0
55 mol 259 unq 2 iso 0 dist 6.20344 5.56656 7.88519 10.3156 7.46176 6.96053 13.6039 11.6988 9.46361 6.95511 numMergedOcc 0
56 mol 259 unq 3 iso 0 dist 6.20344 5.56656 7.88519 9.55719 9.18903 10.4881 13.6039 11.6988 9.46361 17.104 numMergedOcc 0
57 mol 259 unq 4 iso 0 dist 6.20344 10.3156 7.46176 5.56656 7.88519 6.96053 13.5375 10.067 5.85442 10.3406 numMergedOcc 0
58 mol 259 unq 5 iso 0 dist 6.20344 10.3156 7.46176 5.56656 7.88519 6.96053 13.6039 11.6988 6.95511 9.46361 numMergedOcc 0
59 mol 259 unq 6 iso 0 dist 6.20344 10.3156 7.46176 6.08432 7.84554 7.64658 13.5375 10.067 5.85442 12.8546 numMergedOcc 0
60 mol 259 unq 7 iso 0 dist 6.20344 10.3156 7.46176 6.08432 7.84554 7.64658 13.6039 11.6988 6.95511 12.8903 numMergedOcc 0
61 mol 259 unq 8 iso 0 dist 6.20344 10.3156 7.46176 9.55719 9.18903 10.5239 13.5375 10.067 5.85442 16.0301 numMergedOcc 0
62 mol 259 unq 9 iso 0 dist 6.20344 10.3156 7.46176 9.55719 9.18903 10.5239 13.6039 11.6988 6.95511 17.104 numMergedOcc 0
