0 mol 8 unq 0 iso 0 dist 6.92865 6.88402 8.99126 8.95363 7.8922 6.69972 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.4523 13.8846 9.87449 14.045 7.032 6.93413 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.84393 6.31174 8.73972 4.93362 6.36455 6.87842 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.30194 5.14919 4.65521 14.8714 8.73253 11.2505 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 5.79954 13.1044 8.70133 5.67493 7.04044 11.2505 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 7.01889 15.124 8.70133 11.2215 7.04044 11.2505 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.39771 17.5575 9.20981 14.6851 7.55384 5.94311 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 8.19156 5.01204 6.96442 12.0204 9.7918 7.27945 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.56867 7.97477 6.99777 4.64486 5.74857 6.03931 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 9.56867 6.58038 9.14376 4.64486 5.74857 5.99374 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 7.23052 10.5562 6.83051 10.0311 8.58188 8.52488 numMergedOcc 0
11 mol 124 unq 1 iso 0 dist 7.23052 12.5603 9.28376 10.0311 8.58188 5.93612 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.97208 6.30187 8.6355 11.5403 5.53031 11.9544 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 8.36882 13.9771 8.19104 8.92003 5.39064 5.39245 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 8.57361 8.33972 6.50241 8.53414 8.56355 4.34089 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.7292 11.695 5.90931 12.0796 6.85441 10.7974 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 9.14819 7.99023 9.59333 6.83084 8.0144 10.3763 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 9.40003 13.377 6.97182 12.2978 6.38157 9.26037 numMergedOcc 0
18 mol 214 unq 1 iso 0 dist 9.40003 9.36638 6.1175 12.2978 6.38157 11.353 numMergedOcc 0
19 mol 214 unq 2 iso 0 dist 8.68385 8.07861 6.97182 11.7781 6.38157 9.26037 numMergedOcc 0
20 mol 214 unq 3 iso 0 dist 8.68385 10.2576 6.1175 11.7781 6.38157 11.353 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.9077 10.4277 6.84247 5.41948 5.45036 5.49803 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 8.9077 10.4277 6.84247 15.1445 9.97586 7.44322 numMergedOcc 0
23 mol 220 unq 2 iso 0 dist 8.9077 12.6281 6.99002 5.41948 5.45036 11.2241 numMergedOcc 0
24 mol 220 unq 3 iso 0 dist 8.9077 12.6281 6.99002 15.1445 9.97586 9.68359 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 7.04127 9.20195 8.19953 6.23345 8.37597 8.5129 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 6.36941 11.4732 5.34718 7.05684 8.50331 11.6774 numMergedOcc 0
27 mol 240 unq 0 iso 0 dist 6.01168 6.40204 6.15305 14.3522 9.47583 9.75032 numMergedOcc 0
28 mol 240 unq 1 iso 0 dist 6.01168 11.4113 8.0951 14.3522 9.47583 12.9871 numMergedOcc 0
29 mol 240 unq 2 iso 0 dist 7.72928 6.40204 7.03489 14.3522 8.44909 9.75032 numMergedOcc 0
30 mol 240 unq 3 iso 0 dist 6.83069 10.6805 6.15305 8.30926 9.47583 9.75032 numMergedOcc 0
31 mol 240 unq 4 iso 0 dist 6.83069 5.79056 8.0951 8.30926 9.47583 12.9871 numMergedOcc 0
32 mol 240 unq 5 iso 0 dist 9.30995 10.6805 7.03489 8.30926 8.44909 9.75032 numMergedOcc 0
33 mol 248 unq 0 iso 0 dist 6.44967 7.99967 8.50864 4.01898 6.17052 6.53154 numMergedOcc 0
34 mol 253 unq 0 iso 0 dist 8.53729 15.6651 7.19465 4.60689 7.77998 14.5407 numMergedOcc 0
35 mol 253 unq 1 iso 0 dist 8.07341 14.0411 7.19465 9.18036 7.77998 14.5407 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 7.72749 13.5492 9.02188 6.94588 7.71657 8.12927 numMergedOcc 0
37 mol 272 unq 0 iso 0 dist 8.82094 10.6582 7.67853 9.7816 9.05222 6.3139 numMergedOcc 0
38 mol 272 unq 1 iso 0 dist 9.80332 5.96784 7.67853 11.6389 9.05222 6.3139 numMergedOcc 0
39 mol 272 unq 2 iso 0 dist 6.62923 6.99865 9.09992 14.4134 9.19033 11.8912 numMergedOcc 0
40 mol 272 unq 3 iso 0 dist 6.62923 10.3424 6.16449 14.4134 9.19033 6.56154 numMergedOcc 0
