0 mol 15 unq 0 iso 0 dist 5.72359 6.32451 8.60614 4.21233 5.7147 10.086 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.26048 5.37184 8.60614 6.03598 5.7147 10.086 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.83657 10.7321 9.98592 9.78196 8.85286 8.9018 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.74914 6.3045 9.98592 8.20543 8.85286 8.9018 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 6.64721 8.92159 6.21128 7.827 7.31718 6.67385 numMergedOcc 0
5 mol 41 unq 1 iso 0 dist 6.64721 8.92159 6.21128 8.35566 5.47447 10.8632 numMergedOcc 0
6 mol 41 unq 2 iso 0 dist 6.64721 6.87608 9.57024 7.827 7.31718 9.22096 numMergedOcc 0
7 mol 41 unq 3 iso 0 dist 6.64721 6.87608 9.57024 8.35566 5.47447 13.6273 numMergedOcc 0
8 mol 41 unq 4 iso 0 dist 9.36169 6.17678 6.21128 5.82619 7.31718 6.67385 numMergedOcc 0
9 mol 41 unq 5 iso 0 dist 9.36169 6.17678 6.21128 12.3869 5.47447 10.8632 numMergedOcc 0
10 mol 41 unq 6 iso 0 dist 9.36169 4.28783 9.57024 5.82619 7.31718 9.22096 numMergedOcc 0
11 mol 41 unq 7 iso 0 dist 9.36169 4.28783 9.57024 12.3869 5.47447 13.6273 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 8.8014 6.78661 7.98985 5.29175 5.64092 3.99506 numMergedOcc 0
13 mol 68 unq 1 iso 0 dist 8.8014 6.78661 7.98985 14.9646 8.71074 16.2325 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 6.22872 3.99262 5.7684 5.86721 4.27766 4.1846 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 8.25047 12.1829 8.77077 8.58059 5.45099 3.94039 numMergedOcc 0
16 mol 76 unq 1 iso 0 dist 8.25047 12.1829 8.77077 14.7497 8.44765 5.61505 numMergedOcc 0
17 mol 76 unq 2 iso 0 dist 8.25047 12.1829 8.77077 14.3572 9.06643 8.43884 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 8.52697 12.6241 9.77084 8.47393 9.04293 5.84075 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 6.24296 4.32784 5.05893 3.81285 4.29937 5.22259 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 6.24296 4.32784 5.05893 6.17121 5.37869 7.66499 numMergedOcc 0
21 mol 85 unq 2 iso 0 dist 6.83218 4.32784 5.71866 3.81285 3.65628 5.22259 numMergedOcc 0
22 mol 85 unq 3 iso 0 dist 6.83218 4.32784 5.71866 6.17121 4.05415 7.66499 numMergedOcc 0
23 mol 91 unq 0 iso 0 dist 6.64714 5.75219 8.77355 9.46631 7.71625 12.8723 numMergedOcc 0
24 mol 93 unq 0 iso 0 dist 9.43355 17.826 9.19977 13.6305 6.67678 5.64998 numMergedOcc 0
25 mol 93 unq 1 iso 0 dist 9.43355 17.826 9.19977 14.1431 7.24956 4.76749 numMergedOcc 0
26 mol 93 unq 2 iso 0 dist 9.43355 17.826 9.19977 3.99275 8.28591 15.6931 numMergedOcc 0
27 mol 93 unq 3 iso 0 dist 9.43355 17.826 9.19977 6.46195 9.40687 14.8662 numMergedOcc 0
28 mol 93 unq 4 iso 0 dist 9.43355 16.0131 7.28831 13.6305 6.67678 4.34681 numMergedOcc 0
29 mol 93 unq 5 iso 0 dist 9.43355 16.0131 7.28831 14.1431 7.24956 5.73248 numMergedOcc 0
30 mol 93 unq 6 iso 0 dist 9.43355 16.0131 7.28831 3.99275 8.28591 13.5809 numMergedOcc 0
31 mol 93 unq 7 iso 0 dist 9.43355 16.0131 7.28831 6.46195 9.40687 14.149 numMergedOcc 0
32 mol 93 unq 8 iso 0 dist 9.43355 11.7408 9.71411 13.6305 6.67678 9.11796 numMergedOcc 0
33 mol 93 unq 9 iso 0 dist 9.43355 11.7408 9.71411 14.1431 7.24956 7.24672 numMergedOcc 0
34 mol 93 unq 10 iso 0 dist 9.43355 11.7408 9.71411 3.99275 8.28591 10.6039 numMergedOcc 0
35 mol 93 unq 11 iso 0 dist 9.43355 11.7408 9.71411 6.46195 9.40687 6.48338 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 5.24228 4.46354 7.58337 6.46148 5.95801 10.3222 numMergedOcc 0
37 mol 141 unq 1 iso 0 dist 5.24228 4.46354 7.58337 14.5965 9.92715 17.5034 numMergedOcc 0
38 mol 169 unq 0 iso 0 dist 8.66311 6.07908 6.05009 3.86496 8.93091 5.68902 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 8.28282 5.39899 6.88127 12.5023 9.34653 13.2309 numMergedOcc 0
40 mol 218 unq 0 iso 0 dist 5.4767 8.23548 8.57119 6.58822 6.17843 3.9534 numMergedOcc 0
41 mol 218 unq 1 iso 0 dist 5.4767 8.23548 8.57119 9.62149 8.52772 9.18287 numMergedOcc 0
