0 mol 1 unq 0 iso 0 dist 8.93702 5.99543 8.56884 9.35554 9.01967 9.00903 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 6.16125 6.3236 7.31201 12.8676 10.789 7.10621 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.34656 15.0884 6.36911 13.0935 6.06176 8.41585 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.34656 6.3236 9.36807 12.8676 10.515 7.10621 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 5.97065 10.1933 9.16962 12.8678 11.887 8.34347 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 8.06918 5.33532 7.92394 6.77833 6.65811 9.65964 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 8.56968 7.6455 7.92394 9.83265 6.65811 9.65964 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 7.70428 7.61147 7.92394 13.4706 6.65811 9.65964 numMergedOcc 0
8 mol 70 unq 3 iso 0 dist 7.52623 5.33532 9.93423 6.77833 5.47516 9.65964 numMergedOcc 0
9 mol 70 unq 4 iso 0 dist 7.31655 7.6455 9.93423 9.83265 5.47516 9.65964 numMergedOcc 0
10 mol 70 unq 5 iso 0 dist 5.62294 5.33532 9.34122 6.77833 11.0952 9.65964 numMergedOcc 0
11 mol 70 unq 6 iso 0 dist 7.99569 7.6455 9.34122 9.83265 11.0952 9.65964 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.0405 9.7939 8.72704 12.0862 7.2495 6.45675 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.0405 9.7939 8.72704 10.6961 10.1589 7.47343 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.0405 9.7939 8.72704 17.8864 15.9331 8.86688 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.43229 5.98221 7.76729 13.352 10.7942 9.33865 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.43229 5.98221 7.76729 11.172 10.9739 5.83991 numMergedOcc 0
17 mol 126 unq 0 iso 0 dist 6.35364 8.50279 7.75534 11.0723 7.01257 6.06638 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 9.80337 10.3931 7.34519 15.9707 7.41404 8.14887 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 9.80337 10.3931 7.34519 19.5766 13.1312 9.30299 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 9.59094 11.0811 7.92688 8.95433 4.68409 7.11802 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 9.59094 11.0811 7.92688 13.7786 12.2037 8.00618 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 9.70106 7.52846 9.38946 12.6012 12.8482 6.43582 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 9.4422 12.4033 8.62646 6.53913 6.58937 9.87651 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.34871 4.89429 7.20046 10.4189 5.4601 5.98885 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 9.34871 4.89429 7.20046 8.27794 6.14208 9.09537 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 5.55727 4.89429 7.13543 10.4189 10.0524 5.98885 numMergedOcc 0
27 mol 181 unq 3 iso 0 dist 5.55727 4.89429 7.13543 8.27794 5.95965 9.09537 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 6.58245 14.8922 8.99696 15.5751 9.82139 8.56633 numMergedOcc 0
29 mol 209 unq 0 iso 0 dist 5.20111 5.35615 9.52027 5.92907 6.43758 7.56373 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 5.13604 4.8419 7.61951 10.5119 7.08796 9.41367 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 7.54327 5.28657 6.16063 10.4208 11.3297 8.41436 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 7.54327 5.28657 6.16063 13.7219 10.2563 8.92474 numMergedOcc 0
33 mol 235 unq 0 iso 0 dist 9.24964 6.70342 9.58736 6.45574 9.66021 5.4638 numMergedOcc 0
34 mol 235 unq 1 iso 0 dist 5.71896 6.01036 9.58736 8.14407 9.66021 5.4638 numMergedOcc 0
35 mol 235 unq 2 iso 0 dist 8.3229 17.1296 9.58736 15.9155 9.66021 5.4638 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 6.89216 11.0676 6.91569 16.8665 10.9761 6.57393 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 9.07397 14.2669 7.67322 15.0001 12.6986 7.31233 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 8.91763 12.0885 7.67322 18.1089 12.6986 7.31233 numMergedOcc 0
39 mol 238 unq 3 iso 0 dist 6.62086 7.30165 9.29858 9.75977 13.069 5.72887 numMergedOcc 0
40 mol 238 unq 4 iso 0 dist 6.50118 5.18833 9.29858 10.5161 13.069 5.72887 numMergedOcc 0
41 mol 248 unq 0 iso 0 dist 8.39127 5.8982 8.50864 10.1466 10.1857 7.69895 numMergedOcc 0
42 mol 248 unq 1 iso 0 dist 7.96942 7.63032 8.50864 7.40475 10.1857 7.69895 numMergedOcc 0
43 mol 253 unq 0 iso 0 dist 7.83041 12.3321 7.19465 15.7191 7.92528 9.02271 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 5.50677 14.447 9.0012 12.7927 9.74238 9.361 numMergedOcc 0
45 mol 264 unq 1 iso 0 dist 5.50677 14.447 9.0012 10.1737 5.12409 6.24356 numMergedOcc 0
46 mol 264 unq 2 iso 0 dist 8.75957 14.447 9.5784 12.7927 9.85579 9.361 numMergedOcc 0
47 mol 264 unq 3 iso 0 dist 8.75957 14.447 9.5784 10.1737 9.67998 6.24356 numMergedOcc 0
48 mol 272 unq 0 iso 0 dist 6.27189 9.92738 7.67853 12.454 6.64985 8.48753 numMergedOcc 0
49 mol 294 unq 0 iso 0 dist 7.86196 9.62211 9.03492 7.77765 6.17102 8.15665 numMergedOcc 0
