0 mol 11 unq 0 iso 0 dist 6.35398 10.9183 7.98326 10.7048 9.81983 6.76736 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.35398 9.99434 7.90478 10.7048 9.81983 13.5186 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.42748 10.1154 6.03257 4.22652 6.31608 11.6414 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 7.48342 4.29582 6.03257 12.2746 6.31608 11.6414 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.01567 6.66749 4.2121 8.92779 7.03544 6.22954 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.01567 6.66749 4.2121 9.76111 6.93597 4.11146 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.4051 12.176 6.72323 6.7846 7.85986 12.2839 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.4051 12.176 6.72323 8.03955 4.30252 6.22954 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 7.29868 6.66749 6.72323 13.7992 7.85986 12.2839 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 7.29868 6.66749 6.72323 8.92779 4.30252 6.22954 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 8.60554 14.012 6.72323 13.2846 7.85986 12.2839 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 8.60554 14.012 6.72323 12.3897 4.30252 6.22954 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.14538 4.24786 9.17082 7.15034 5.27979 10.1434 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 9.82915 10.4987 9.66222 11.9949 8.04853 11.3242 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 9.82915 10.4987 9.66222 13.3089 6.46549 15.4245 numMergedOcc 0
15 mol 91 unq 0 iso 0 dist 9.30539 4.57085 8.66165 4.73184 9.97813 5.21888 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 5.9465 8.70803 6.77241 12.2908 6.89071 8.93569 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 5.9465 9.52327 5.50508 12.2908 6.89071 3.98877 numMergedOcc 0
18 mol 92 unq 2 iso 0 dist 6.97962 8.87994 6.77241 13.6054 6.89071 8.93569 numMergedOcc 0
19 mol 92 unq 3 iso 0 dist 6.97962 11.641 5.50508 13.6054 6.89071 3.98877 numMergedOcc 0
20 mol 92 unq 4 iso 0 dist 9.95342 7.52639 6.77241 11.2746 6.89071 8.93569 numMergedOcc 0
21 mol 92 unq 5 iso 0 dist 9.95342 7.34683 5.50508 11.2746 6.89071 3.98877 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 5.78706 11.3905 7.14031 9.53244 7.54574 10.256 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 7.23884 14.2646 7.14031 9.91282 7.54574 10.256 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 5.59328 4.67519 7.14031 6.54016 7.54574 10.256 numMergedOcc 0
25 mol 98 unq 3 iso 0 dist 7.5242 10.4027 7.14031 11.2206 7.54574 10.256 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 8.8822 7.27193 6.6317 15.3211 7.40338 13.2601 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 6.28565 10.7293 9.73158 10.3933 8.98175 9.06432 numMergedOcc 0
28 mol 129 unq 1 iso 0 dist 6.28565 7.29399 7.59327 10.3933 8.98175 11.2951 numMergedOcc 0
29 mol 141 unq 0 iso 0 dist 8.10291 14.7684 9.83945 8.76709 4.92382 13.8739 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 9.97343 9.74444 9.10042 6.45283 9.38036 3.89483 numMergedOcc 0
31 mol 141 unq 2 iso 0 dist 9.97343 6.91919 9.75059 6.45283 9.38036 4.1436 numMergedOcc 0
32 mol 141 unq 3 iso 0 dist 9.97343 10.1432 6.83404 6.45283 9.38036 12.6017 numMergedOcc 0
33 mol 141 unq 4 iso 0 dist 9.70413 10.3716 9.10042 11.3136 9.38036 3.89483 numMergedOcc 0
34 mol 141 unq 5 iso 0 dist 9.70413 7.87881 9.75059 11.3136 9.38036 4.1436 numMergedOcc 0
35 mol 141 unq 6 iso 0 dist 9.70413 7.27731 6.83404 11.3136 9.38036 12.6017 numMergedOcc 0
36 mol 184 unq 0 iso 0 dist 6.42735 8.08596 7.54099 5.03539 7.02762 4.12242 numMergedOcc 0
37 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 12.8006 8.43182 13.0087 numMergedOcc 0
38 mol 196 unq 0 iso 0 dist 6.70531 4.54749 7.21349 5.93821 6.14222 5.7225 numMergedOcc 0
39 mol 196 unq 1 iso 0 dist 6.86319 10.645 7.21349 12.4987 6.14222 5.7225 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 8.50102 6.2188 9.78181 6.95968 9.78273 12.3206 numMergedOcc 0
41 mol 232 unq 1 iso 0 dist 8.50102 12.3508 9.8664 6.95968 9.78273 12.159 numMergedOcc 0
42 mol 232 unq 2 iso 0 dist 9.40808 12.5452 9.78181 4.04428 9.78273 12.3206 numMergedOcc 0
43 mol 232 unq 3 iso 0 dist 9.40808 8.80479 9.8664 4.04428 9.78273 12.159 numMergedOcc 0
44 mol 235 unq 0 iso 0 dist 6.36341 5.5163 6.94789 4.67058 7.26232 3.66752 numMergedOcc 0
45 mol 235 unq 1 iso 0 dist 6.21292 7.77516 6.94789 10.28 7.26232 3.66752 numMergedOcc 0
46 mol 235 unq 2 iso 0 dist 9.21736 11.7254 6.94789 13.783 7.26232 3.66752 numMergedOcc 0
47 mol 237 unq 0 iso 0 dist 9.20822 10.6582 8.10254 7.00249 8.95332 5.18809 numMergedOcc 0
48 mol 244 unq 0 iso 0 dist 5.50492 7.6169 7.95359 8.49798 9.30179 8.74744 numMergedOcc 0
49 mol 244 unq 1 iso 0 dist 5.50492 7.6169 7.95359 9.54706 6.10489 5.98501 numMergedOcc 0
50 mol 244 unq 2 iso 0 dist 5.50492 7.6169 7.95359 4.06591 4.4204 5.00596 numMergedOcc 0
51 mol 244 unq 3 iso 0 dist 5.50492 5.17744 6.22122 8.49798 9.30179 13.2473 numMergedOcc 0
52 mol 244 unq 4 iso 0 dist 5.50492 5.17744 6.22122 9.54706 6.10489 10.1665 numMergedOcc 0
53 mol 244 unq 5 iso 0 dist 5.50492 5.17744 6.22122 4.06591 4.4204 5.68434 numMergedOcc 0
54 mol 249 unq 0 iso 0 dist 5.48118 9.0676 5.9627 10.3504 8.76518 11.2713 numMergedOcc 0
55 mol 249 unq 1 iso 0 dist 7.25858 6.56117 5.9627 10.9925 8.76518 11.2713 numMergedOcc 0
56 mol 273 unq 0 iso 0 dist 8.83865 12.0136 7.16346 9.32873 9.81919 9.84575 numMergedOcc 0
57 mol 273 unq 1 iso 0 dist 9.18157 12.1851 7.16346 5.04315 9.81919 9.84575 numMergedOcc 0
58 mol 274 unq 0 iso 0 dist 8.52587 6.20558 6.88827 12.5154 8.09181 8.87313 numMergedOcc 0
59 mol 274 unq 1 iso 0 dist 8.52587 16.3619 9.16942 12.5154 8.09181 6.97575 numMergedOcc 0
60 mol 274 unq 2 iso 0 dist 6.39866 6.16703 6.88827 4.60007 8.09181 8.87313 numMergedOcc 0
61 mol 274 unq 3 iso 0 dist 6.39866 5.64601 9.16942 4.60007 8.09181 6.97575 numMergedOcc 0
62 mol 280 unq 0 iso 0 dist 9.76787 6.19336 6.73712 4.51188 9.47429 8.71368 numMergedOcc 0
63 mol 284 unq 0 iso 0 dist 6.78191 4.50325 7.34931 12.4957 7.74874 9.94624 numMergedOcc 0
64 mol 287 unq 0 iso 0 dist 6.89451 7.83813 6.95912 4.21609 7.99204 5.75106 numMergedOcc 0
65 mol 288 unq 0 iso 0 dist 6.89451 7.83813 6.95912 4.21609 7.99204 5.75106 numMergedOcc 0
66 mol 289 unq 0 iso 0 dist 6.89451 7.83813 6.95912 4.21609 7.99204 5.75106 numMergedOcc 0
