0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 15.7188 6.73162 7.23546 14.1383 8.44506 13.2876 8.13684 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 7.95969 6.73162 7.23546 9.77186 8.44506 13.2876 8.13684 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 10.6328 7.18176 5.93337 9.24617 9.66501 4.88603 8.75928 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 7.68916 13.3091 7.34143 10.6328 7.18176 4.5482 9.24617 9.66501 12.277 8.75928 numMergedOcc 0
4 mol 52 unq 2 iso 0 dist 7.47417 8.90624 9.80098 10.4155 7.18176 5.93337 5.10567 9.66501 4.88603 8.75928 numMergedOcc 0
5 mol 52 unq 3 iso 0 dist 7.47417 13.0115 7.34143 10.4155 7.18176 4.5482 5.10567 9.66501 12.277 8.75928 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 9.74268 6.95018 9.65964 10.7301 7.92394 6.65811 7.98177 6.54023 9.03317 11.6542 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 9.74268 6.95018 9.65964 11.7565 9.93423 5.47516 7.98177 6.54023 9.03317 11.7156 numMergedOcc 0
8 mol 70 unq 2 iso 0 dist 9.74268 6.95018 9.65964 12.3296 9.34122 11.0952 7.98177 6.54023 9.03317 4.95817 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 10.6273 8.72704 7.2495 5.25231 9.00544 11.8512 14.6145 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 10.6273 8.72704 7.2495 6.16378 7.12017 9.52882 6.00843 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 10.6273 8.72704 10.1589 5.25231 9.00544 14.9392 14.6145 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 10.6273 8.72704 10.1589 6.16378 7.12017 12.6602 6.00843 numMergedOcc 0
13 mol 100 unq 4 iso 0 dist 5.09688 10.2364 8.86688 10.6273 8.72704 15.9331 5.25231 9.00544 9.01214 14.6145 numMergedOcc 0
14 mol 100 unq 5 iso 0 dist 5.09688 10.2364 8.86688 10.6273 8.72704 15.9331 6.16378 7.12017 14.8674 6.00843 numMergedOcc 0
15 mol 100 unq 6 iso 0 dist 9.26343 13.666 6.45675 11.6898 8.72704 7.2495 8.90536 9.00544 11.8512 14.6145 numMergedOcc 0
16 mol 100 unq 7 iso 0 dist 9.26343 13.666 6.45675 11.6898 8.72704 7.2495 5.69359 7.12017 9.52882 6.00843 numMergedOcc 0
17 mol 100 unq 8 iso 0 dist 9.26343 16.4386 7.47343 11.6898 8.72704 10.1589 8.90536 9.00544 14.9392 14.6145 numMergedOcc 0
18 mol 100 unq 9 iso 0 dist 9.26343 16.4386 7.47343 11.6898 8.72704 10.1589 5.69359 7.12017 12.6602 6.00843 numMergedOcc 0
19 mol 100 unq 10 iso 0 dist 9.26343 15.5646 8.86688 11.6898 8.72704 15.9331 8.90536 9.00544 9.01214 14.6145 numMergedOcc 0
20 mol 100 unq 11 iso 0 dist 9.26343 15.5646 8.86688 11.6898 8.72704 15.9331 5.69359 7.12017 14.8674 6.00843 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 5.87387 6.4595 7.5732 6.2394 8.71128 5.80557 11.3694 6.34525 11.128 14.3491 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 9.69757 6.82985 7.12972 12.4356 8.6243 6.19596 6.53994 8.71039 5.89022 8.15392 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 9.69757 6.82985 7.12972 12.4356 8.6243 6.19596 13.4383 6.92648 9.32969 6.01893 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 15.1358 8.6355 10.1448 5.50042 5.53031 5.35679 11.9544 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 15.1358 8.6355 5.41704 5.50042 5.53031 8.46636 11.9544 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 14.3955 6.94688 6.25083 6.09526 6.51749 13.8722 10.4684 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 15.6271 6.71012 4.77278 6.09526 6.51749 13.8722 12.69 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 14.3955 6.94688 5.86342 6.09526 6.51749 5.93488 10.4684 numMergedOcc 0
29 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 15.6271 6.71012 9.14057 6.09526 6.51749 5.93488 12.69 numMergedOcc 0
30 mol 181 unq 4 iso 0 dist 9.25528 11.9545 9.15386 14.3955 6.94688 6.80228 6.09526 6.51749 7.64267 10.4684 numMergedOcc 0
31 mol 181 unq 5 iso 0 dist 9.25528 11.9545 9.15386 15.6271 6.71012 11.6919 6.09526 6.51749 7.64267 12.69 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 13.2566 5.90931 5.09262 10.2224 6.85441 8.17229 10.7974 numMergedOcc 0
33 mol 204 unq 1 iso 0 dist 7.92766 7.58285 8.51516 13.2566 5.90931 12.9483 10.2224 6.85441 5.74707 10.7974 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 6.83122 9.3424 9.65138 8.77336 6.97182 6.16485 8.62938 6.38157 7.38025 9.26037 numMergedOcc 0
35 mol 214 unq 1 iso 0 dist 6.83122 9.3424 9.65138 10.8541 6.1175 11.5712 8.62938 6.38157 7.38025 11.353 numMergedOcc 0
36 mol 214 unq 2 iso 0 dist 6.83122 12.2622 7.14453 8.77336 6.97182 5.33565 8.62938 6.38157 9.35273 9.26037 numMergedOcc 0
37 mol 214 unq 3 iso 0 dist 6.83122 12.2622 7.14453 10.8541 6.1175 5.06792 8.62938 6.38157 9.35273 11.353 numMergedOcc 0
38 mol 214 unq 4 iso 0 dist 6.83122 6.75833 8.85478 8.77336 6.97182 8.47007 8.62938 6.38157 5.63388 9.26037 numMergedOcc 0
39 mol 214 unq 5 iso 0 dist 6.83122 6.75833 8.85478 10.8541 6.1175 12.8334 8.62938 6.38157 5.63388 11.353 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 11.3668 8.19953 8.64911 5.63106 8.37597 6.77927 8.5129 numMergedOcc 0
41 mol 224 unq 1 iso 0 dist 7.69537 5.41675 6.61986 11.3668 8.19953 10.7113 5.63106 8.37597 4.59567 8.5129 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 6.18486 6.78651 7.55216 5.31715 8.83563 11.662 5.98086 5.87815 10.6244 4.3387 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 14.751 9.29858 13.069 9.87539 7.32982 12.3808 6.48619 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 7.80166 6.77788 5.72887 12.4266 9.29858 13.069 10.4401 7.32982 12.3808 6.48619 numMergedOcc 0
45 mol 253 unq 0 iso 0 dist 5.76077 9.0081 9.02271 10.6548 7.19465 7.92528 5.37783 7.77998 13.6942 14.5407 numMergedOcc 0
46 mol 253 unq 1 iso 0 dist 7.0247 10.9027 9.02271 3.494 7.19465 7.92528 14.5125 7.77998 13.6942 14.5407 numMergedOcc 0
47 mol 272 unq 0 iso 0 dist 7.66615 11.4664 9.97651 6.68919 9.09992 10.841 6.43352 9.19033 10.26 11.8912 numMergedOcc 0
48 mol 272 unq 1 iso 0 dist 7.66615 11.4664 9.97651 8.13036 6.16449 4.72202 6.43352 9.19033 10.26 6.56154 numMergedOcc 0
49 mol 272 unq 2 iso 0 dist 7.66615 10.3544 8.46116 6.68919 9.09992 5.63139 6.43352 9.19033 13.5034 11.8912 numMergedOcc 0
50 mol 272 unq 3 iso 0 dist 7.66615 10.3544 8.46116 8.13036 6.16449 8.52877 6.43352 9.19033 13.5034 6.56154 numMergedOcc 0
