0 mol 1 unq 0 iso 0 dist 8.61411 9.44115 5.972 9.99706 11.2596 7.90928 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 7.7568 6.69711 9.08524 13.27 15.4713 9.30041 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.85573 9.4798 11.6488 6.85995 13.222 7.23261 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 7.85573 9.4798 11.6488 4.19085 11.4967 8.96501 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.34078 6.94351 5.29167 14.4502 10.4432 8.17564 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 6.34078 6.94351 5.29167 13.5267 11.1823 7.19213 numMergedOcc 0
6 mol 65 unq 0 iso 0 dist 9.57525 6.97879 7.15449 6.10531 9.06948 8.56202 numMergedOcc 0
7 mol 65 unq 1 iso 0 dist 9.06948 8.56202 7.15449 6.10531 9.57525 6.97879 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 6.23298 5.70192 5.52457 5.32316 9.85405 7.65646 numMergedOcc 0
9 mol 67 unq 1 iso 0 dist 9.85405 7.65646 5.52457 5.32316 6.23298 5.70192 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 9.06225 6.57826 7.43853 8.17321 13.0133 8.39101 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 6.81489 8.0578 9.30367 12.3184 15.0483 8.78982 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 5.28955 9.47892 8.00732 15.0412 16.0778 8.95838 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 5.46716 9.9492 6.50232 15.2469 13.7716 9.43335 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.13872 8.45395 9.80135 4.09371 10.1001 9.15368 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 6.13872 8.45395 9.80135 7.37799 11.3254 9.20477 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 6.13872 5.41368 4.97806 4.09371 10.1001 7.96182 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 6.13872 5.41368 4.97806 7.37799 11.3254 7.90237 numMergedOcc 0
18 mol 183 unq 0 iso 0 dist 5.83335 7.42108 6.39381 9.96454 13.6633 9.19941 numMergedOcc 0
19 mol 183 unq 1 iso 0 dist 9.92635 7.42108 16.8061 9.96454 15.2398 9.19941 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 6.50727 8.32685 5.92782 5.3979 7.84826 6.74777 numMergedOcc 0
21 mol 197 unq 1 iso 0 dist 6.50727 8.32685 5.92782 9.51831 12.314 9.62514 numMergedOcc 0
22 mol 197 unq 2 iso 0 dist 7.84826 6.74777 5.92782 5.3979 6.50727 8.32685 numMergedOcc 0
23 mol 197 unq 3 iso 0 dist 7.84826 6.74777 5.92782 4.66266 12.314 9.62514 numMergedOcc 0
24 mol 197 unq 4 iso 0 dist 7.56537 9.62514 10.1284 9.51831 14.7427 8.32685 numMergedOcc 0
25 mol 197 unq 5 iso 0 dist 7.56537 9.62514 10.1284 4.66266 10.2079 6.74777 numMergedOcc 0
26 mol 197 unq 6 iso 0 dist 9.89975 9.62514 16.3081 9.51831 19.2474 8.32685 numMergedOcc 0
27 mol 197 unq 7 iso 0 dist 9.89975 9.62514 16.3081 4.66266 14.0747 6.74777 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 6.14732 8.82471 6.07589 9.86046 10.7871 7.77951 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 7.99525 7.79085 5.30261 4.19978 9.20965 6.48753 numMergedOcc 0
30 mol 232 unq 1 iso 0 dist 7.99525 7.79085 5.30261 9.33666 12.3473 7.83802 numMergedOcc 0
31 mol 232 unq 2 iso 0 dist 9.20965 6.48753 5.30261 4.19978 7.99525 7.79085 numMergedOcc 0
32 mol 232 unq 3 iso 0 dist 9.20965 6.48753 5.30261 5.14994 12.3473 7.83802 numMergedOcc 0
33 mol 243 unq 0 iso 0 dist 8.28364 9.65322 12.946 9.08852 15.6585 6.9453 numMergedOcc 0
34 mol 269 unq 0 iso 0 dist 7.97206 5.98602 4.52168 9.73015 7.1068 9.78238 numMergedOcc 0
35 mol 269 unq 1 iso 0 dist 7.1068 9.78238 4.52168 9.73015 7.97206 5.98602 numMergedOcc 0
