0 mol 20 unq 0 iso 0 dist 6.81416 6.98731 8.72023 8.71628 6.31611 6.4934 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.8533 10.1933 5.69955 5.97065 4.80984 9.16962 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.87744 10.4881 5.69955 10.4483 4.80984 9.16962 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 7.2612 5.2549 8.44506 10.3215 8.13684 6.73162 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 9.33262 9.9009 9.31969 16.9723 11.6542 8.33704 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 9.33262 9.66495 6.54023 16.9723 11.6542 7.92394 numMergedOcc 0
6 mol 70 unq 2 iso 0 dist 9.33262 9.66495 6.54023 18.9589 11.7156 9.93423 numMergedOcc 0
7 mol 70 unq 3 iso 0 dist 9.33262 9.66495 6.54023 12.8585 4.95817 9.34122 numMergedOcc 0
8 mol 70 unq 4 iso 0 dist 4.67358 9.17087 9.31969 8.06918 11.6542 8.33704 numMergedOcc 0
9 mol 70 unq 5 iso 0 dist 4.67358 5.33532 6.54023 8.06918 11.6542 7.92394 numMergedOcc 0
10 mol 70 unq 6 iso 0 dist 4.67358 5.33532 6.54023 7.52623 11.7156 9.93423 numMergedOcc 0
11 mol 70 unq 7 iso 0 dist 4.67358 5.33532 6.54023 5.62294 4.95817 9.34122 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 5.36473 9.04668 9.7918 9.6785 7.27945 6.96442 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 5.8367 13.0109 8.20836 11.6044 9.65798 8.79571 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 9.5853 5.56399 8.56355 5.79707 4.34089 6.50241 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 8.22643 13.577 7.62942 14.0669 9.08602 8.36117 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 8.22643 13.577 7.62942 15.635 8.18628 6.77578 numMergedOcc 0
17 mol 209 unq 0 iso 0 dist 6.43914 5.35615 8.41195 5.20111 9.02883 9.52027 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.84133 12.0174 5.45036 14.2798 5.49803 6.84247 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 8.84133 12.0174 5.45036 16.6467 11.2241 6.99002 numMergedOcc 0
20 mol 220 unq 2 iso 0 dist 8.81001 9.89208 5.45036 13.8879 5.49803 6.84247 numMergedOcc 0
21 mol 220 unq 3 iso 0 dist 8.81001 9.89208 5.45036 14.9077 11.2241 6.99002 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 9.33359 12.8358 8.50331 14.2159 11.6774 5.34718 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 5.5826 11.1632 6.66971 9.3099 5.8333 9.90142 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 5.5826 11.0996 6.4398 6.50118 6.48619 9.68513 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 5.5826 11.0996 6.4398 9.3099 5.8333 5.9216 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 5.5826 5.18833 7.32982 6.50118 6.48619 9.29858 numMergedOcc 0
27 mol 240 unq 0 iso 0 dist 5.46783 14.5429 9.47583 14.3784 9.75032 6.15305 numMergedOcc 0
28 mol 240 unq 1 iso 0 dist 5.46783 14.5429 9.47583 16.0105 12.9871 8.0951 numMergedOcc 0
29 mol 240 unq 2 iso 0 dist 5.46783 13.8996 8.44909 14.3784 9.75032 7.03489 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 9.97871 5.8982 6.17052 8.39127 6.53154 8.50864 numMergedOcc 0
31 mol 248 unq 1 iso 0 dist 9.08064 7.63032 6.17052 7.96942 6.53154 8.50864 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 9.00781 9.92738 9.05222 6.27189 6.3139 7.67853 numMergedOcc 0
