0 mol 25 unq 0 iso 0 dist 9.26381 6.74726 8.88413 11.2792 5.59268 7.17969 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.26381 6.61953 9.87281 10.4654 6.17631 7.31767 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 9.26381 5.18181 7.63928 10.4654 6.17631 6.03987 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.07937 14.9314 6.88695 10.6139 5.3315 8.34347 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.42206 4.76147 6.88695 7.34549 5.3315 8.34347 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 9.66602 5.93227 6.88695 9.72289 5.3315 8.34347 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 9.49676 6.12182 5.73067 8.19077 5.79134 7.50293 numMergedOcc 0
7 mol 38 unq 1 iso 0 dist 9.49676 6.12182 5.73067 13.1327 5.48241 9.91611 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 5.35101 7.71984 6.36193 9.74058 5.40367 6.62496 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 5.35101 4.67517 4.88613 9.74058 5.40367 6.35756 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 8.68381 12.5529 6.36193 12.818 5.40367 6.62496 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 8.68381 8.47822 4.88613 12.818 5.40367 6.35756 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 8.65313 8.19638 9.22002 11.2566 6.16737 6.65721 numMergedOcc 0
13 mol 61 unq 1 iso 0 dist 8.65313 7.43426 7.52103 11.2566 6.16737 6.72123 numMergedOcc 0
14 mol 61 unq 2 iso 0 dist 9.00513 6.63565 8.46556 9.86253 4.90701 6.72123 numMergedOcc 0
15 mol 61 unq 3 iso 0 dist 8.64665 9.0032 8.46556 9.52183 4.90701 6.72123 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 4.90079 4.53359 7.75811 6.31203 4.8042 5.83409 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 8.21127 6.86762 5.02717 12.9567 5.28901 7.30858 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 8.21127 6.86762 5.02717 5.11612 6.75472 5.83991 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 8.21127 6.86762 5.02717 11.7895 11.0268 7.88312 numMergedOcc 0
20 mol 115 unq 3 iso 0 dist 7.99121 6.8104 4.98864 5.22628 6.59772 6.11741 numMergedOcc 0
21 mol 115 unq 4 iso 0 dist 7.99121 6.8104 4.98864 11.2519 10.9437 7.88312 numMergedOcc 0
22 mol 115 unq 5 iso 0 dist 6.30982 6.8104 7.95871 5.22628 4.86477 6.11741 numMergedOcc 0
23 mol 115 unq 6 iso 0 dist 6.30982 6.8104 7.95871 11.2519 12.0354 7.88312 numMergedOcc 0
24 mol 130 unq 0 iso 0 dist 8.87505 8.50937 5.49877 12.4719 3.96103 8.70949 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 9.86691 4.32516 9.3894 9.05674 4.84607 6.5107 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 9.86691 4.32516 9.3894 12.2159 13.0836 9.52634 numMergedOcc 0
27 mol 133 unq 2 iso 0 dist 5.7232 8.76089 9.50322 8.94909 5.37072 7.11802 numMergedOcc 0
28 mol 133 unq 3 iso 0 dist 5.7232 6.80087 5.82404 12.8006 10.2385 6.29155 numMergedOcc 0
29 mol 133 unq 4 iso 0 dist 5.7232 6.80087 5.82404 9.73536 4.64588 6.80239 numMergedOcc 0
30 mol 133 unq 5 iso 0 dist 5.7232 6.80087 5.82404 8.94909 5.37072 8.00618 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 5.08796 10.9813 9.84952 6.43406 4.3158 7.81386 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 5.08796 10.9813 9.84952 13.9818 12.9554 7.63312 numMergedOcc 0
33 mol 196 unq 0 iso 0 dist 5.76319 7.23208 9.99314 10.2561 6.70722 9.62191 numMergedOcc 0
34 mol 196 unq 1 iso 0 dist 5.30132 11.373 9.99314 11.7823 6.70722 9.62191 numMergedOcc 0
35 mol 196 unq 2 iso 0 dist 8.36119 4.76275 9.99314 8.69629 6.70722 9.62191 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 9.86936 10.0276 7.16386 16.5598 9.02283 9.41367 numMergedOcc 0
37 mol 235 unq 0 iso 0 dist 9.61454 9.77128 7.08539 14.1669 7.38431 5.4638 numMergedOcc 0
38 mol 236 unq 0 iso 0 dist 4.43243 5.03598 5.66569 11.0371 11.2013 9.99038 numMergedOcc 0
39 mol 236 unq 1 iso 0 dist 4.43243 5.03598 5.66569 5.99137 4.15973 6.27581 numMergedOcc 0
40 mol 236 unq 2 iso 0 dist 5.92025 5.03598 6.11137 11.0371 15.1664 9.99038 numMergedOcc 0
41 mol 236 unq 3 iso 0 dist 5.92025 5.03598 6.11137 5.99137 9.01197 6.27581 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 9.61428 5.77573 9.13537 12.0065 10.3859 6.57393 numMergedOcc 0
43 mol 241 unq 0 iso 0 dist 7.79013 10.2076 9.10633 8.18588 7.20238 7.4631 numMergedOcc 0
44 mol 241 unq 1 iso 0 dist 9.33399 10.1832 9.10633 14.333 7.20238 7.4631 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 8.62592 6.60345 5.73834 11.1218 6.48867 6.60405 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 8.62592 6.60345 5.73834 5.31858 7.52881 6.42289 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 8.93002 5.56656 8.06771 5.29682 6.64729 8.13497 numMergedOcc 0
48 mol 259 unq 1 iso 0 dist 8.93002 5.56656 8.06771 6.20344 9.79538 7.88519 numMergedOcc 0
49 mol 259 unq 2 iso 0 dist 6.83706 9.03495 6.42725 10.0986 8.70769 5.30224 numMergedOcc 0
50 mol 265 unq 0 iso 0 dist 8.09021 4.75685 9.772 6.78702 5.75478 8.4218 numMergedOcc 0
51 mol 265 unq 1 iso 0 dist 6.98451 11.5105 9.772 8.59825 5.75478 8.4218 numMergedOcc 0
52 mol 279 unq 0 iso 0 dist 8.53542 4.51764 7.74162 13.0233 9.5773 9.70696 numMergedOcc 0
53 mol 292 unq 0 iso 0 dist 5.76223 9.5588 9.30668 10.7611 8.04474 8.2734 numMergedOcc 0
