0 mol 25 unq 0 iso 0 dist 9.26381 6.61953 9.87281 10.4654 6.17631 7.31767 14.6398 13.4756 8.43188 7.685 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.26381 5.18181 7.63928 10.4654 6.17631 6.03987 14.6398 13.4756 10.3635 7.685 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.07937 14.9314 6.88695 10.6139 5.3315 8.34347 17.0437 9.97117 7.23546 6.73162 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 6.42206 4.76147 6.88695 7.34549 5.3315 8.34347 7.23551 9.97117 7.23546 6.73162 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 9.66602 5.93227 6.88695 9.72289 5.3315 8.34347 8.34836 9.97117 7.23546 6.73162 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.35101 7.71984 6.36193 9.74058 5.40367 6.62496 10.6522 11.074 10.2241 9.58673 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 5.35101 4.67517 4.88613 9.74058 5.40367 6.35756 10.6522 11.074 7.05413 9.58673 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 8.68381 12.5529 6.36193 12.818 5.40367 6.62496 12.0643 11.074 10.2241 9.58673 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 8.68381 8.47822 4.88613 12.818 5.40367 6.35756 12.0643 11.074 7.05413 9.58673 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 8.65313 8.19638 9.22002 11.2566 6.16737 6.65721 11.8356 12.9951 5.83489 8.76003 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 8.65313 7.43426 7.52103 11.2566 6.16737 6.72123 11.8356 12.9951 7.39396 8.76003 numMergedOcc 0
11 mol 61 unq 2 iso 0 dist 9.00513 6.63565 8.46556 9.86253 4.90701 6.72123 7.12133 11.0903 7.39396 8.76003 numMergedOcc 0
12 mol 61 unq 3 iso 0 dist 8.64665 9.0032 8.46556 9.52183 4.90701 6.72123 6.40108 11.0903 7.39396 8.76003 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.21127 6.86762 5.02717 5.11612 6.75472 5.83991 5.39389 13.1716 10.9739 7.76729 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 8.21127 6.86762 5.02717 11.7895 11.0268 7.88312 17.6074 14.0848 11.7126 6.99777 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 8.21127 6.86762 5.02717 11.7895 11.0268 7.88312 9.3525 9.26862 4.62962 9.14376 numMergedOcc 0
16 mol 115 unq 3 iso 0 dist 7.99121 6.8104 4.98864 5.22628 6.59772 6.11741 9.16391 9.44544 4.61908 9.66954 numMergedOcc 0
17 mol 115 unq 4 iso 0 dist 7.99121 6.8104 4.98864 5.22628 6.59772 6.11741 5.26498 12.7883 10.8939 7.64585 numMergedOcc 0
18 mol 115 unq 5 iso 0 dist 7.99121 6.8104 4.98864 11.2519 10.9437 7.88312 9.16391 9.44544 4.61908 8.66155 numMergedOcc 0
19 mol 115 unq 6 iso 0 dist 6.30982 6.8104 7.95871 5.22628 4.86477 6.11741 9.16391 12.2966 4.61908 9.66954 numMergedOcc 0
20 mol 115 unq 7 iso 0 dist 6.30982 6.8104 7.95871 5.22628 4.86477 6.11741 5.26498 10.1292 10.8939 7.64585 numMergedOcc 0
21 mol 115 unq 8 iso 0 dist 6.30982 6.8104 7.95871 11.2519 12.0354 7.88312 9.16391 12.2966 4.61908 8.66155 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 5.7232 8.76089 9.50322 8.94909 5.37072 7.11802 11.1266 11.5756 4.68409 7.92688 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 5.7232 6.80087 5.82404 8.94909 5.37072 8.00618 11.1266 11.5756 12.2037 7.92688 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 5.08796 10.9813 9.84952 6.43406 4.3158 7.81386 4.56814 6.17129 6.7991 4.93785 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 5.08796 10.9813 9.84952 13.9818 12.9554 7.63312 14.5476 14.2389 4.80231 6.93764 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 9.61454 9.77128 7.08539 14.1669 7.38431 5.4638 10.7505 10.8124 4.65302 8.21247 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 4.43243 5.03598 5.66569 11.0371 11.2013 9.99038 4.47231 6.98151 6.04825 7.17676 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 4.43243 5.03598 5.66569 11.0371 11.2013 9.99038 11.2391 12.9923 8.8265 6.68463 numMergedOcc 0
29 mol 236 unq 2 iso 0 dist 4.43243 5.03598 5.66569 5.99137 4.15973 6.27581 4.47231 6.98151 6.04825 5.34718 numMergedOcc 0
30 mol 236 unq 3 iso 0 dist 5.92025 5.03598 6.11137 11.0371 15.1664 9.99038 4.47231 9.91572 6.04825 7.17676 numMergedOcc 0
31 mol 236 unq 4 iso 0 dist 5.92025 5.03598 6.11137 11.0371 15.1664 9.99038 11.2391 14.8319 8.8265 6.68463 numMergedOcc 0
32 mol 236 unq 5 iso 0 dist 5.92025 5.03598 6.11137 5.99137 9.01197 6.27581 4.47231 9.91572 6.04825 5.34718 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 9.61428 5.77573 9.13537 12.0065 10.3859 6.57393 16.6366 17.1186 10.9761 6.91569 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 8.93002 5.56656 8.06771 6.20344 9.79538 7.88519 12.9748 13.1236 11.6195 7.48005 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 6.83706 9.03495 6.42725 10.0986 8.70769 5.30224 13.669 8.65525 5.31048 8.37865 numMergedOcc 0
