0 mol 1 unq 0 iso 0 dist 9.48433 10.1549 9.00903 12.6995 6.09918 7.94662 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.46842 13.3513 7.57578 5.85389 6.90155 9.36158 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.46842 14.4516 7.17969 5.85389 6.90155 10.1525 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 9.73896 5.84852 6.43774 11.1814 6.06454 5.73693 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 6.96797 5.84852 7.2846 11.1814 9.44459 5.73693 numMergedOcc 0
5 mol 45 unq 2 iso 0 dist 6.96797 6.5822 7.58835 11.1814 9.44459 11.6164 numMergedOcc 0
6 mol 52 unq 0 iso 0 dist 8.52979 11.4352 9.80098 8.23954 9.66501 4.88603 numMergedOcc 0
7 mol 52 unq 1 iso 0 dist 8.52979 14.6092 7.34143 8.23954 9.66501 12.277 numMergedOcc 0
8 mol 52 unq 2 iso 0 dist 9.6112 9.99897 7.34143 7.56616 9.9052 8.9759 numMergedOcc 0
9 mol 52 unq 3 iso 0 dist 6.08894 6.01116 7.34143 4.34047 9.9052 8.9759 numMergedOcc 0
10 mol 52 unq 4 iso 0 dist 9.02308 4.98024 7.34143 6.10615 9.9052 8.9759 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 6.47132 9.86595 7.17396 3.97129 8.64015 11.0904 numMergedOcc 0
12 mol 59 unq 1 iso 0 dist 6.47132 10.2137 9.21998 3.97129 8.64015 12.9211 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 9.13413 9.79513 7.71338 5.56098 6.47042 10.0814 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 9.41521 11.2541 8.75408 13.1667 8.93905 7.27181 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 9.41521 8.90504 6.44653 13.1667 8.93905 10.5192 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 7.49404 7.91807 8.40312 10.7835 8.86329 5.89022 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 6.44766 7.69184 6.85062 13.6401 9.29384 9.32969 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.5778 10.2414 6.54501 7.63514 5.53031 5.35679 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.5778 13.5276 6.49416 7.63514 5.53031 8.46636 numMergedOcc 0
20 mol 170 unq 0 iso 0 dist 7.47249 6.8201 9.76807 11.4083 8.15099 7.72147 numMergedOcc 0
21 mol 180 unq 0 iso 0 dist 7.24785 14.0966 9.62337 9.54991 9.18528 8.66662 numMergedOcc 0
22 mol 180 unq 1 iso 0 dist 7.53287 14.0344 9.62337 7.78726 9.18528 8.66662 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 5.47189 5.48717 7.54065 9.40342 7.20574 8.90184 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 9.65951 11.5989 7.10633 13.1567 6.85441 8.17229 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 9.65951 9.99471 8.51516 13.1567 6.85441 5.74707 numMergedOcc 0
26 mol 204 unq 2 iso 0 dist 9.14829 6.73339 7.10633 13.1156 6.85441 8.17229 numMergedOcc 0
27 mol 204 unq 3 iso 0 dist 9.14829 13.2127 8.51516 13.1156 6.85441 5.74707 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 9.33638 15.9383 9.65138 13.6007 6.38157 7.38025 numMergedOcc 0
29 mol 214 unq 1 iso 0 dist 9.33638 7.31241 7.14453 13.6007 6.38157 9.35273 numMergedOcc 0
30 mol 214 unq 2 iso 0 dist 9.33638 17.0758 8.85478 13.6007 6.38157 5.63388 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 9.05754 15.9524 9.23153 11.3947 5.45036 6.17628 numMergedOcc 0
32 mol 220 unq 1 iso 0 dist 9.05754 15.9524 9.23153 5.70392 9.97586 14.0253 numMergedOcc 0
33 mol 220 unq 2 iso 0 dist 9.05754 10.0641 8.24498 11.3947 5.45036 10.4136 numMergedOcc 0
34 mol 220 unq 3 iso 0 dist 9.05754 10.0641 8.24498 5.70392 9.97586 6.20511 numMergedOcc 0
35 mol 229 unq 0 iso 0 dist 9.68636 10.705 8.22528 7.82856 8.92743 11.6847 numMergedOcc 0
36 mol 229 unq 1 iso 0 dist 9.68636 5.6419 7.03423 7.82856 8.92743 9.62106 numMergedOcc 0
37 mol 232 unq 0 iso 0 dist 6.94983 5.08111 8.27212 10.971 7.83711 8.25884 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 8.58958 16.0172 8.34494 14.2602 8.24186 11.7705 numMergedOcc 0
39 mol 234 unq 1 iso 0 dist 8.58958 14.7629 6.56247 14.2602 8.24186 5.63086 numMergedOcc 0
40 mol 234 unq 2 iso 0 dist 8.58958 13.5847 9.36357 14.2602 8.24186 5.6819 numMergedOcc 0
41 mol 234 unq 3 iso 0 dist 9.70004 10.9359 8.34494 17.7658 8.24186 11.7705 numMergedOcc 0
42 mol 234 unq 4 iso 0 dist 9.70004 14.3229 6.56247 17.7658 8.24186 5.63086 numMergedOcc 0
43 mol 234 unq 5 iso 0 dist 9.70004 17.5883 9.36357 17.7658 8.24186 5.6819 numMergedOcc 0
44 mol 234 unq 6 iso 0 dist 7.17987 14.7629 9.45496 14.2602 7.5366 5.63086 numMergedOcc 0
45 mol 234 unq 7 iso 0 dist 7.17987 13.5847 6.7625 14.2602 7.5366 5.6819 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 9.09166 6.74773 6.22714 12.8393 5.64181 10.216 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 9.09166 9.48707 7.31233 12.8393 5.64181 7.83352 numMergedOcc 0
48 mol 253 unq 0 iso 0 dist 9.75753 15.0268 9.02271 14.9103 7.77998 13.6942 numMergedOcc 0
49 mol 258 unq 0 iso 0 dist 9.80417 10.759 6.60405 9.31209 6.70815 7.42673 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 9.89728 5.07898 7.46176 9.80192 8.55558 5.60748 numMergedOcc 0
51 mol 264 unq 0 iso 0 dist 6.20796 6.9758 9.17653 7.79077 6.14323 13.0621 numMergedOcc 0
52 mol 264 unq 1 iso 0 dist 7.73693 5.00433 9.17653 12.3382 6.14323 13.0621 numMergedOcc 0
