0 mol 8 unq 0 iso 0 dist 9.11545 10.9865 8.68949 12.928 9.31461 3.84732 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.79758 7.99314 8.75001 5.09246 9.97466 12.5764 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 9.83301 5.6382 5.52834 9.67906 7.53194 4.62559 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.49678 5.37112 5.06188 11.6027 8.10222 6.4561 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.31934 8.773 9.11512 5.12034 7.61377 3.90956 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.08674 4.77004 7.48127 6.27527 5.91098 8.58474 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.60438 9.63545 9.06641 4.3421 8.63446 6.65219 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 5.22576 6.39764 8.91354 10.358 8.91998 10.8497 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 8.65409 13.7719 8.91354 15.2668 8.91998 10.8497 numMergedOcc 0
9 mol 96 unq 0 iso 0 dist 8.92981 8.82781 8.9056 3.92234 8.79886 11.9221 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 5.90675 9.40832 8.03869 4.12068 9.51771 10.5011 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 8.50192 4.89754 8.9864 7.92835 4.821 7.33765 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 9.83241 12.8233 7.6453 9.45041 4.4077 6.61102 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 9.83241 12.8233 7.6453 5.50122 8.4874 9.0678 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 9.6112 9.53483 6.87456 6.65884 8.10681 3.9771 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 7.88346 5.57673 5.40826 6.03327 5.33772 3.66518 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.78385 4.62781 9.2254 15.1362 8.99777 14.1651 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 7.17789 10.2242 9.2254 16.123 8.99777 14.1651 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 9.12896 13.4281 9.52029 5.86531 9.41594 9.47121 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 9.12896 13.4281 9.52029 8.02399 9.92651 11.8097 numMergedOcc 0
20 mol 204 unq 2 iso 0 dist 8.63667 9.86864 9.52029 7.92458 9.41594 9.47121 numMergedOcc 0
21 mol 204 unq 3 iso 0 dist 8.63667 9.86864 9.52029 12.0632 9.92651 11.8097 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.73513 7.90201 4.81837 12.1876 8.83628 9.70513 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 6.73513 11.9426 6.43519 12.1876 8.83628 6.82382 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 7.7874 5.43552 4.36421 14.6013 9.53899 13.6384 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 9.02319 6.67297 7.11741 8.71755 6.06793 3.40786 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 9.02319 7.49843 8.8113 8.71755 6.06793 5.77577 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 7.04478 8.30658 9.01071 3.34784 7.24545 7.17772 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 7.04478 11.481 8.86185 3.34784 7.24545 13.8399 numMergedOcc 0
29 mol 254 unq 0 iso 0 dist 5.91549 8.1834 9.54511 5.39519 5.83039 5.9731 numMergedOcc 0
30 mol 254 unq 1 iso 0 dist 5.91549 8.1834 9.54511 5.04198 6.74364 3.69576 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 9.34785 6.09764 6.45473 9.39816 6.33954 5.16057 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 9.27225 11.1283 8.58092 6.55101 5.94328 5.05766 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 9.51286 8.13583 9.0836 4.58167 6.48382 7.63149 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 9.51286 4.80695 9.62494 4.58167 6.48382 4.39553 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 6.92271 4.00063 8.15119 9.69757 4.1545 9.21484 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 6.92271 4.00063 8.15119 10.2113 4.25172 10.3506 numMergedOcc 0
37 mol 277 unq 2 iso 0 dist 8.62666 9.31316 8.15119 7.55695 4.1545 9.21484 numMergedOcc 0
38 mol 277 unq 3 iso 0 dist 8.62666 9.31316 8.15119 6.26644 4.25172 10.3506 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 8.92737 9.82894 6.37998 8.3297 7.94656 3.33848 numMergedOcc 0
40 mol 294 unq 1 iso 0 dist 7.15278 6.49126 6.37998 4.63586 7.94656 3.33848 numMergedOcc 0
