0 mol 7 unq 0 iso 0 dist 9.32945 6.22805 4.57188 15.279 8.85869 12.3221 17.302 9.85726 11.0773 14.1047 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.90117 6.22805 6.09254 15.279 7.5298 12.3221 6.96396 7.21217 7.10621 14.06 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.90117 6.22805 6.09254 11.7275 8.94874 11.9671 6.96396 7.21217 7.10621 5.77391 numMergedOcc 0
3 mol 66 unq 0 iso 0 dist 6.85819 8.31793 5.57361 7.41815 9.31938 13.8193 6.43842 9.37957 12.4286 6.90892 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 6.13631 7.84699 6.10011 10.5627 6.89722 11.4799 13.4367 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 5.39171 4.24428 8.04817 12.6081 7.53504 15.5212 10.5627 6.89722 11.4799 9.64124 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 5.39171 6.30194 5.2774 6.13631 7.84699 8.124 10.5627 6.89722 6.19304 13.4367 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 5.39171 6.30194 5.2774 12.6081 7.53504 11.801 10.5627 6.89722 6.19304 9.64124 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 9.27355 4.24428 9.76331 6.13631 8.40844 6.10011 10.8067 9.68526 8.9232 5.33851 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 9.27355 4.24428 9.76331 6.13631 8.40844 6.10011 10.5627 7.26679 11.4799 13.4367 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 9.27355 4.24428 9.76331 6.13631 8.40844 6.10011 17.4113 9.30776 16.0453 15.7164 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 9.27355 4.24428 9.76331 16.1129 7.02351 15.7658 10.8067 9.68526 8.9232 13.6586 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 9.27355 4.24428 9.76331 16.1129 7.02351 15.7658 10.5627 7.26679 11.4799 10.3774 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 9.27355 4.24428 9.76331 16.1129 7.02351 15.7658 17.4113 9.30776 16.0453 4.15333 numMergedOcc 0
14 mol 73 unq 10 iso 0 dist 9.27355 4.24428 9.76331 12.6081 8.66342 15.5212 10.8067 9.68526 8.9232 16.8585 numMergedOcc 0
15 mol 73 unq 11 iso 0 dist 9.27355 4.24428 9.76331 12.6081 8.66342 15.5212 10.5627 7.26679 11.4799 9.64124 numMergedOcc 0
16 mol 73 unq 12 iso 0 dist 9.27355 4.24428 9.76331 12.6081 8.66342 15.5212 17.4113 9.30776 16.0453 16.0481 numMergedOcc 0
17 mol 73 unq 13 iso 0 dist 9.27355 6.30194 5.44275 6.13631 8.40844 8.124 10.8067 9.68526 10.2049 5.33851 numMergedOcc 0
18 mol 73 unq 14 iso 0 dist 9.27355 6.30194 5.44275 6.13631 8.40844 8.124 10.5627 7.26679 6.19304 13.4367 numMergedOcc 0
19 mol 73 unq 15 iso 0 dist 9.27355 6.30194 5.44275 6.13631 8.40844 8.124 17.4113 9.30776 11.6369 15.7164 numMergedOcc 0
20 mol 73 unq 16 iso 0 dist 9.27355 6.30194 5.44275 16.1129 7.02351 10.9082 10.8067 9.68526 10.2049 13.6586 numMergedOcc 0
21 mol 73 unq 17 iso 0 dist 9.27355 6.30194 5.44275 16.1129 7.02351 10.9082 10.5627 7.26679 6.19304 10.3774 numMergedOcc 0
22 mol 73 unq 18 iso 0 dist 9.27355 6.30194 5.44275 16.1129 7.02351 10.9082 17.4113 9.30776 11.6369 4.15333 numMergedOcc 0
23 mol 73 unq 19 iso 0 dist 9.27355 6.30194 5.44275 12.6081 8.66342 11.801 10.8067 9.68526 10.2049 16.8585 numMergedOcc 0
24 mol 73 unq 20 iso 0 dist 9.27355 6.30194 5.44275 12.6081 8.66342 11.801 10.5627 7.26679 6.19304 9.64124 numMergedOcc 0
25 mol 73 unq 21 iso 0 dist 9.27355 6.30194 5.44275 12.6081 8.66342 11.801 17.4113 9.30776 11.6369 16.0481 numMergedOcc 0
26 mol 73 unq 22 iso 0 dist 8.60363 4.24428 10.4402 6.13631 6.99156 6.10011 10.8067 9.72442 8.9232 5.33851 numMergedOcc 0
27 mol 73 unq 23 iso 0 dist 8.60363 4.24428 10.4402 6.13631 6.99156 6.10011 16.3515 9.02288 18.5645 16.0086 numMergedOcc 0
28 mol 73 unq 24 iso 0 dist 8.60363 4.24428 10.4402 12.6081 7.21285 15.5212 10.8067 9.72442 8.9232 16.8585 numMergedOcc 0
29 mol 73 unq 25 iso 0 dist 8.60363 4.24428 10.4402 12.6081 7.21285 15.5212 16.3515 9.02288 18.5645 4.91508 numMergedOcc 0
30 mol 73 unq 26 iso 0 dist 8.60363 6.30194 8.0624 6.13631 6.99156 8.124 10.8067 9.72442 10.2049 5.33851 numMergedOcc 0
31 mol 73 unq 27 iso 0 dist 8.60363 6.30194 8.0624 6.13631 6.99156 8.124 16.3515 9.02288 14.305 16.0086 numMergedOcc 0
32 mol 73 unq 28 iso 0 dist 8.60363 6.30194 8.0624 12.6081 7.21285 11.801 10.8067 9.72442 10.2049 16.8585 numMergedOcc 0
33 mol 73 unq 29 iso 0 dist 8.60363 6.30194 8.0624 12.6081 7.21285 11.801 16.3515 9.02288 14.305 4.91508 numMergedOcc 0
34 mol 114 unq 0 iso 0 dist 5.31281 9.24515 7.18757 7.22809 8.592 11.8382 7.65733 7.25166 12.6649 4.24853 numMergedOcc 0
35 mol 114 unq 1 iso 0 dist 5.31281 9.24515 7.18757 7.22809 8.592 11.8382 5.24877 8.42445 7.5732 9.52181 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 9.81136 8.47248 4.82712 14.9808 5.69733 10.1886 17.404 8.49704 11.9355 5.68711 numMergedOcc 0
37 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 11.9931 8.58709 6.21273 10.6943 9.8711 9.23153 5.1021 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 9.80029 7.46044 10.6043 4.55824 9.75313 6.61986 13.1803 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 7.70189 9.67877 10.4667 5.79358 6.59521 12.6095 9.78068 8.58088 17.2071 5.13233 numMergedOcc 0
40 mol 258 unq 1 iso 0 dist 7.70189 8.81059 9.22664 5.79358 6.59521 8.21585 9.78068 8.58088 6.42289 5.13233 numMergedOcc 0
41 mol 258 unq 2 iso 0 dist 7.70189 9.12006 13.0489 5.79358 6.59521 10.6274 9.78068 8.58088 10.1675 5.13233 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 9.43627 9.16791 13.8844 10.908 6.77279 8.13497 12.4673 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 6.76656 6.96379 5.71237 9.43627 9.16791 13.8844 12.7595 9.58006 7.88519 16.6792 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 9.07452 6.21831 6.57235 14.9337 8.17922 13.261 6.11218 7.80446 9.10818 10.374 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 9.07452 6.21831 6.57235 14.9337 8.17922 13.261 11.3921 9.86142 13.0736 7.60191 numMergedOcc 0
46 mol 274 unq 2 iso 0 dist 7.21004 6.21831 4.97216 6.33183 5.68643 8.78883 6.11218 9.91395 9.10818 7.48637 numMergedOcc 0
47 mol 274 unq 3 iso 0 dist 6.12202 9.81087 7.96313 5.64335 7.59956 13.3533 5.7574 7.79904 10.3851 4.89399 numMergedOcc 0
48 mol 274 unq 4 iso 0 dist 6.12202 9.81087 7.96313 5.64335 7.59956 13.3533 7.23876 9.02749 12.8531 11.3084 numMergedOcc 0
49 mol 274 unq 5 iso 0 dist 6.12202 9.81087 7.96313 13.0534 8.05503 12.0756 5.7574 7.79904 10.3851 10.9974 numMergedOcc 0
50 mol 274 unq 6 iso 0 dist 6.12202 9.81087 7.96313 13.0534 8.05503 12.0756 7.23876 9.02749 12.8531 16.897 numMergedOcc 0
51 mol 274 unq 7 iso 0 dist 6.12202 9.81087 7.96313 9.24343 5.59151 5.82876 5.7574 7.79904 10.3851 7.60191 numMergedOcc 0
52 mol 274 unq 8 iso 0 dist 6.12202 9.81087 7.96313 9.24343 5.59151 5.82876 7.23876 9.02749 12.8531 13.8866 numMergedOcc 0
53 mol 274 unq 9 iso 0 dist 6.44266 9.79674 9.61244 6.26074 8.17922 12.336 6.98398 7.80446 15.2761 10.374 numMergedOcc 0
54 mol 274 unq 10 iso 0 dist 6.44266 9.79674 9.61244 6.26074 8.17922 12.336 6.99898 9.86142 16.5774 7.60191 numMergedOcc 0
55 mol 274 unq 11 iso 0 dist 6.44266 8.3291 6.57235 6.26074 8.17922 13.261 6.98398 7.80446 9.10818 10.374 numMergedOcc 0
56 mol 274 unq 12 iso 0 dist 6.44266 8.3291 6.57235 6.26074 8.17922 13.261 6.99898 9.86142 13.0736 7.60191 numMergedOcc 0
57 mol 274 unq 13 iso 0 dist 8.75703 9.79674 10.7877 9.34663 5.68643 15.4145 6.98398 9.91395 15.2761 7.48637 numMergedOcc 0
58 mol 274 unq 14 iso 0 dist 8.75703 8.3291 4.97216 9.34663 5.68643 8.78883 6.98398 9.91395 9.10818 7.48637 numMergedOcc 0
59 mol 280 unq 0 iso 0 dist 7.3304 8.27417 4.95798 10.5216 9.9227 8.80588 7.26698 8.85762 6.0664 5.80223 numMergedOcc 0
60 mol 282 unq 0 iso 0 dist 7.93511 6.84554 4.58403 8.96033 6.40686 10.161 9.67023 5.67266 8.76532 4.89059 numMergedOcc 0
61 mol 282 unq 1 iso 0 dist 7.93511 9.51581 5.04235 8.96033 6.40686 9.83042 9.67023 5.67266 6.33524 4.89059 numMergedOcc 0
