0 mol 7 unq 0 iso 0 dist 9.19844 5.38502 7.5706 7.39982 6.28925 9.0379 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.19844 7.39982 6.28925 5.38502 7.5706 9.0379 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.19844 5.38502 7.5706 17.8838 8.70159 15.4949 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 9.19844 17.8838 8.70159 5.38502 7.5706 15.4949 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 9.19844 7.39982 6.28925 17.8838 8.70159 13.2247 numMergedOcc 0
5 mol 7 unq 1 iso 1 dist 9.19844 17.8838 8.70159 7.39982 6.28925 13.2247 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 9.07692 10.6695 5.61656 10.6381 8.67487 5.03351 numMergedOcc 0
7 mol 30 unq 0 iso 1 dist 9.07692 10.6381 8.67487 10.6695 5.61656 5.03351 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 9.07692 10.6695 5.61656 6.40527 6.95343 5.34368 numMergedOcc 0
9 mol 30 unq 1 iso 1 dist 9.07692 6.40527 6.95343 10.6695 5.61656 5.34368 numMergedOcc 0
10 mol 30 unq 1 iso 0 dist 9.07692 10.6381 8.67487 6.40527 6.95343 6.89466 numMergedOcc 0
11 mol 30 unq 1 iso 1 dist 9.07692 6.40527 6.95343 10.6381 8.67487 6.89466 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 9.75003 16.7397 7.56581 17.2265 9.22021 5.08001 numMergedOcc 0
13 mol 54 unq 0 iso 1 dist 9.75003 17.2265 9.22021 16.7397 7.56581 5.08001 numMergedOcc 0
14 mol 54 unq 1 iso 0 dist 6.95846 11.9881 7.56581 10.3564 9.22021 5.08001 numMergedOcc 0
15 mol 54 unq 1 iso 1 dist 6.95846 10.3564 9.22021 11.9881 7.56581 5.08001 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 8.91833 8.31041 9.33919 5.44275 9.79143 5.4148 numMergedOcc 0
17 mol 73 unq 0 iso 1 dist 8.91833 5.44275 9.79143 8.31041 9.33919 5.4148 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 8.91833 8.31041 9.33919 11.2674 6.43377 14.9342 numMergedOcc 0
19 mol 73 unq 1 iso 1 dist 8.91833 11.2674 6.43377 8.31041 9.33919 14.9342 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 8.91833 5.44275 9.79143 11.2674 6.43377 13.3558 numMergedOcc 0
21 mol 73 unq 1 iso 1 dist 8.91833 11.2674 6.43377 5.44275 9.79143 13.3558 numMergedOcc 0
22 mol 88 unq 0 iso 0 dist 8.95194 6.07226 6.066 11.3835 9.36032 5.57085 numMergedOcc 0
23 mol 88 unq 0 iso 1 dist 8.95194 11.3835 9.36032 6.07226 6.066 5.57085 numMergedOcc 0
24 mol 88 unq 1 iso 0 dist 8.95194 6.07226 6.066 12.4322 8.3592 9.94966 numMergedOcc 0
25 mol 88 unq 1 iso 1 dist 8.95194 12.4322 8.3592 6.07226 6.066 9.94966 numMergedOcc 0
26 mol 88 unq 1 iso 0 dist 8.95194 11.3835 9.36032 12.4322 8.3592 10.9968 numMergedOcc 0
27 mol 88 unq 1 iso 1 dist 8.95194 12.4322 8.3592 11.3835 9.36032 10.9968 numMergedOcc 0
28 mol 88 unq 2 iso 0 dist 6.06617 7.70573 9.30559 10.0887 5.96359 13.5016 numMergedOcc 0
29 mol 88 unq 2 iso 1 dist 6.06617 10.0887 5.96359 7.70573 9.30559 13.5016 numMergedOcc 0
30 mol 88 unq 3 iso 0 dist 6.06617 7.70573 9.30559 8.35111 7.48974 11.8813 numMergedOcc 0
31 mol 88 unq 3 iso 1 dist 6.06617 8.35111 7.48974 7.70573 9.30559 11.8813 numMergedOcc 0
32 mol 88 unq 4 iso 0 dist 6.06617 7.70573 9.30559 5.6953 8.40428 11.6198 numMergedOcc 0
33 mol 88 unq 4 iso 1 dist 6.06617 5.6953 8.40428 7.70573 9.30559 11.6198 numMergedOcc 0
34 mol 88 unq 3 iso 0 dist 6.06617 10.0887 5.96359 8.35111 7.48974 4.96064 numMergedOcc 0
35 mol 88 unq 3 iso 1 dist 6.06617 8.35111 7.48974 10.0887 5.96359 4.96064 numMergedOcc 0
36 mol 88 unq 4 iso 0 dist 6.06617 10.0887 5.96359 5.6953 8.40428 8.62396 numMergedOcc 0
37 mol 88 unq 4 iso 1 dist 6.06617 5.6953 8.40428 10.0887 5.96359 8.62396 numMergedOcc 0
38 mol 88 unq 4 iso 0 dist 6.06617 8.35111 7.48974 5.6953 8.40428 5.05664 numMergedOcc 0
39 mol 88 unq 4 iso 1 dist 6.06617 5.6953 8.40428 8.35111 7.48974 5.05664 numMergedOcc 0
40 mol 92 unq 0 iso 0 dist 5.84829 10.9449 7.48658 5.51133 7.20279 9.35561 numMergedOcc 0
41 mol 92 unq 0 iso 1 dist 5.84829 5.51133 7.20279 10.9449 7.48658 9.35561 numMergedOcc 0
42 mol 119 unq 0 iso 0 dist 8.82502 6.83988 9.70093 12.1168 6.69217 9.93257 numMergedOcc 0
43 mol 119 unq 0 iso 1 dist 8.82502 12.1168 6.69217 6.83988 9.70093 9.93257 numMergedOcc 0
44 mol 127 unq 0 iso 0 dist 6.99723 9.75166 5.72373 12.9471 7.20988 5.55757 numMergedOcc 0
45 mol 127 unq 0 iso 1 dist 6.99723 12.9471 7.20988 9.75166 5.72373 5.55757 numMergedOcc 0
46 mol 178 unq 0 iso 0 dist 9.77739 5.9892 7.12045 8.88181 8.94945 5.18005 numMergedOcc 0
47 mol 178 unq 0 iso 1 dist 9.77739 8.88181 8.94945 5.9892 7.12045 5.18005 numMergedOcc 0
48 mol 219 unq 0 iso 0 dist 7.44159 11.5979 5.40597 14.2005 7.66784 7.02195 numMergedOcc 0
49 mol 219 unq 0 iso 1 dist 7.44159 14.2005 7.66784 11.5979 5.40597 7.02195 numMergedOcc 0
50 mol 219 unq 1 iso 0 dist 7.44159 11.5979 5.40597 10.1098 8.69579 13.4387 numMergedOcc 0
51 mol 219 unq 1 iso 1 dist 7.44159 10.1098 8.69579 11.5979 5.40597 13.4387 numMergedOcc 0
52 mol 219 unq 2 iso 0 dist 7.44159 11.5979 5.40597 5.49378 6.71733 10.8119 numMergedOcc 0
53 mol 219 unq 2 iso 1 dist 7.44159 5.49378 6.71733 11.5979 5.40597 10.8119 numMergedOcc 0
54 mol 219 unq 1 iso 0 dist 7.44159 14.2005 7.66784 10.1098 8.69579 10.7348 numMergedOcc 0
55 mol 219 unq 1 iso 1 dist 7.44159 10.1098 8.69579 14.2005 7.66784 10.7348 numMergedOcc 0
56 mol 219 unq 2 iso 0 dist 7.44159 14.2005 7.66784 5.49378 6.71733 10.6748 numMergedOcc 0
57 mol 219 unq 2 iso 1 dist 7.44159 5.49378 6.71733 14.2005 7.66784 10.6748 numMergedOcc 0
58 mol 219 unq 2 iso 0 dist 7.44159 10.1098 8.69579 5.49378 6.71733 6.74494 numMergedOcc 0
59 mol 219 unq 2 iso 1 dist 7.44159 5.49378 6.71733 10.1098 8.69579 6.74494 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 6.16322 5.60233 9.92067 6.32647 7.7904 5.0673 numMergedOcc 0
61 mol 224 unq 0 iso 1 dist 6.16322 6.32647 7.7904 5.60233 9.92067 5.0673 numMergedOcc 0
62 mol 230 unq 0 iso 0 dist 7.63624 6.87235 5.31963 5.4427 7.85632 5.46301 numMergedOcc 0
63 mol 230 unq 0 iso 1 dist 7.63624 5.4427 7.85632 6.87235 5.31963 5.46301 numMergedOcc 0
64 mol 230 unq 1 iso 0 dist 9.95611 9.94041 5.31963 5.52842 7.85632 5.46301 numMergedOcc 0
65 mol 230 unq 1 iso 1 dist 9.95611 5.52842 7.85632 9.94041 5.31963 5.46301 numMergedOcc 0
66 mol 234 unq 0 iso 0 dist 9.71144 4.74041 7.72403 6.16697 6.35438 5.88703 numMergedOcc 0
67 mol 234 unq 0 iso 1 dist 9.71144 6.16697 6.35438 4.74041 7.72403 5.88703 numMergedOcc 0
68 mol 234 unq 1 iso 0 dist 9.71144 4.74041 7.72403 16.1011 9.57132 15.2225 numMergedOcc 0
69 mol 234 unq 1 iso 1 dist 9.71144 16.1011 9.57132 4.74041 7.72403 15.2225 numMergedOcc 0
70 mol 234 unq 1 iso 0 dist 9.71144 6.16697 6.35438 16.1011 9.57132 10.2693 numMergedOcc 0
71 mol 234 unq 1 iso 1 dist 9.71144 16.1011 9.57132 6.16697 6.35438 10.2693 numMergedOcc 0
72 mol 239 unq 0 iso 0 dist 7.84904 5.29737 5.45139 15.9383 8.10769 12.7454 numMergedOcc 0
73 mol 239 unq 0 iso 1 dist 7.84904 15.9383 8.10769 5.29737 5.45139 12.7454 numMergedOcc 0
74 mol 239 unq 1 iso 0 dist 8.53124 6.72592 7.21256 12.1268 7.71476 6.68485 numMergedOcc 0
75 mol 239 unq 1 iso 1 dist 8.53124 12.1268 7.71476 6.72592 7.21256 6.68485 numMergedOcc 0
76 mol 244 unq 0 iso 0 dist 7.76796 6.51077 7.27258 11.9809 5.29811 8.32749 numMergedOcc 0
77 mol 244 unq 0 iso 1 dist 7.76796 11.9809 5.29811 6.51077 7.27258 8.32749 numMergedOcc 0
78 mol 248 unq 0 iso 0 dist 6.43336 10.9137 9.12664 5.35181 6.51383 5.86196 numMergedOcc 0
79 mol 248 unq 0 iso 1 dist 6.43336 5.35181 6.51383 10.9137 9.12664 5.86196 numMergedOcc 0
