0 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 11.0096 8.80331 14.0204 11.8286 6.20293 13.1056 8.13395 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.38387 4.99287 8.03754 11.8286 6.20293 13.1056 11.0096 8.80331 14.0204 8.13395 numMergedOcc 0
2 mol 75 unq 0 iso 0 dist 6.95595 4.18109 9.20448 12.7957 7.79912 14.2474 10.309 8.56639 12.103 5.64643 numMergedOcc 0
3 mol 75 unq 0 iso 1 dist 6.95595 4.18109 9.20448 10.309 8.56639 12.103 12.7957 7.79912 14.2474 5.64643 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 6.95595 4.18109 9.20448 12.7957 7.79912 14.2474 5.80162 8.59017 5.76778 10.4899 numMergedOcc 0
5 mol 75 unq 1 iso 1 dist 6.95595 4.18109 9.20448 5.80162 8.59017 5.76778 12.7957 7.79912 14.2474 10.4899 numMergedOcc 0
6 mol 75 unq 1 iso 0 dist 6.95595 4.18109 9.20448 10.309 8.56639 12.103 5.80162 8.59017 5.76778 7.00674 numMergedOcc 0
7 mol 75 unq 1 iso 1 dist 6.95595 4.18109 9.20448 5.80162 8.59017 5.76778 10.309 8.56639 12.103 7.00674 numMergedOcc 0
8 mol 75 unq 2 iso 0 dist 6.95595 4.01868 6.96759 12.7957 7.79912 13.8905 10.309 8.56639 12.899 5.64643 numMergedOcc 0
9 mol 75 unq 2 iso 1 dist 6.95595 4.01868 6.96759 10.309 8.56639 12.899 12.7957 7.79912 13.8905 5.64643 numMergedOcc 0
10 mol 75 unq 3 iso 0 dist 6.95595 4.01868 6.96759 12.7957 7.79912 13.8905 5.80162 8.59017 8.41332 10.4899 numMergedOcc 0
11 mol 75 unq 3 iso 1 dist 6.95595 4.01868 6.96759 5.80162 8.59017 8.41332 12.7957 7.79912 13.8905 10.4899 numMergedOcc 0
12 mol 75 unq 3 iso 0 dist 6.95595 4.01868 6.96759 10.309 8.56639 12.899 5.80162 8.59017 8.41332 7.00674 numMergedOcc 0
13 mol 75 unq 3 iso 1 dist 6.95595 4.01868 6.96759 5.80162 8.59017 8.41332 10.309 8.56639 12.899 7.00674 numMergedOcc 0
14 mol 75 unq 4 iso 0 dist 6.95595 6.54389 6.97318 12.7957 7.79912 11.2774 10.309 8.56639 11.0206 5.64643 numMergedOcc 0
15 mol 75 unq 4 iso 1 dist 6.95595 6.54389 6.97318 10.309 8.56639 11.0206 12.7957 7.79912 11.2774 5.64643 numMergedOcc 0
16 mol 75 unq 5 iso 0 dist 6.95595 6.54389 6.97318 12.7957 7.79912 11.2774 5.80162 8.59017 6.56982 10.4899 numMergedOcc 0
17 mol 75 unq 5 iso 1 dist 6.95595 6.54389 6.97318 5.80162 8.59017 6.56982 12.7957 7.79912 11.2774 10.4899 numMergedOcc 0
18 mol 75 unq 5 iso 0 dist 6.95595 6.54389 6.97318 10.309 8.56639 11.0206 5.80162 8.59017 6.56982 7.00674 numMergedOcc 0
19 mol 75 unq 5 iso 1 dist 6.95595 6.54389 6.97318 5.80162 8.59017 6.56982 10.309 8.56639 11.0206 7.00674 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 6.58793 11.4201 9.67557 10.1919 7.95579 6.53819 9.21014 6.19965 9.9705 4.26409 numMergedOcc 0
21 mol 85 unq 0 iso 1 dist 6.58793 11.4201 9.67557 9.21014 6.19965 9.9705 10.1919 7.95579 6.53819 4.26409 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 6.58793 11.4201 9.67557 10.1919 7.95579 6.53819 7.83419 7.66905 15.3279 10.7229 numMergedOcc 0
23 mol 85 unq 1 iso 1 dist 6.58793 11.4201 9.67557 7.83419 7.66905 15.3279 10.1919 7.95579 6.53819 10.7229 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 6.58793 11.4201 9.67557 9.21014 6.19965 9.9705 7.83419 7.66905 15.3279 6.9948 numMergedOcc 0
25 mol 85 unq 1 iso 1 dist 6.58793 11.4201 9.67557 7.83419 7.66905 15.3279 9.21014 6.19965 9.9705 6.9948 numMergedOcc 0
26 mol 95 unq 0 iso 0 dist 9.65047 16.8321 9.64673 5.33325 7.27724 12.0894 5.69671 8.03644 16.4832 8.41707 numMergedOcc 0
27 mol 95 unq 0 iso 1 dist 9.65047 16.8321 9.64673 5.69671 8.03644 16.4832 5.33325 7.27724 12.0894 8.41707 numMergedOcc 0
28 mol 112 unq 0 iso 0 dist 7.15985 12.3624 9.90769 6.68714 9.60462 13.4578 6.71889 7.45389 6.69178 7.05226 numMergedOcc 0
29 mol 112 unq 0 iso 1 dist 7.15985 12.3624 9.90769 6.71889 7.45389 6.69178 6.68714 9.60462 13.4578 7.05226 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 5.86531 4.98521 9.47554 6.26797 7.11802 5.34829 9.73435 8.00618 9.67676 8.18495 numMergedOcc 0
31 mol 133 unq 0 iso 1 dist 5.86531 4.98521 9.47554 9.73435 8.00618 9.67676 6.26797 7.11802 5.34829 8.18495 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 9.92932 5.73962 9.16358 10.5108 8.94367 10.0911 6.20443 9.86662 9.66197 6.81259 numMergedOcc 0
33 mol 134 unq 0 iso 1 dist 9.92932 5.73962 9.16358 6.20443 9.86662 9.66197 10.5108 8.94367 10.0911 6.81259 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 9.60411 5.73962 6.48328 10.5108 6.37586 10.0911 6.20443 9.71307 9.66197 6.81259 numMergedOcc 0
35 mol 134 unq 1 iso 1 dist 9.60411 5.73962 6.48328 6.20443 9.71307 9.66197 10.5108 6.37586 10.0911 6.81259 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 9.55556 10.971 9.16358 11.9294 8.94367 10.0911 6.36794 9.86662 9.66197 6.81259 numMergedOcc 0
37 mol 134 unq 2 iso 1 dist 9.55556 10.971 9.16358 6.36794 9.86662 9.66197 11.9294 8.94367 10.0911 6.81259 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 10.4039 8.56324 13.1435 11.1874 6.70283 13.793 7.65448 numMergedOcc 0
39 mol 152 unq 0 iso 1 dist 8.07256 4.81561 8.41774 11.1874 6.70283 13.793 10.4039 8.56324 13.1435 7.65448 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 8.07256 4.81561 8.41774 10.4039 8.56324 13.1435 8.36099 7.16148 11.2124 10.6875 numMergedOcc 0
41 mol 152 unq 1 iso 1 dist 8.07256 4.81561 8.41774 8.36099 7.16148 11.2124 10.4039 8.56324 13.1435 10.6875 numMergedOcc 0
42 mol 152 unq 1 iso 0 dist 8.07256 4.81561 8.41774 11.1874 6.70283 13.793 8.36099 7.16148 11.2124 5.49936 numMergedOcc 0
43 mol 152 unq 1 iso 1 dist 8.07256 4.81561 8.41774 8.36099 7.16148 11.2124 11.1874 6.70283 13.793 5.49936 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 5.96555 4.12904 8.52924 4.6995 6.03031 7.17157 10.7091 7.26832 11.993 7.38516 numMergedOcc 0
45 mol 205 unq 0 iso 1 dist 5.96555 4.12904 8.52924 10.7091 7.26832 11.993 4.6995 6.03031 7.17157 7.38516 numMergedOcc 0
46 mol 205 unq 1 iso 0 dist 5.96555 4.12904 8.52924 4.6995 6.03031 7.17157 5.87892 7.80463 9.67882 8.18714 numMergedOcc 0
47 mol 205 unq 1 iso 1 dist 5.96555 4.12904 8.52924 5.87892 7.80463 9.67882 4.6995 6.03031 7.17157 8.18714 numMergedOcc 0
48 mol 205 unq 1 iso 0 dist 5.96555 4.12904 8.52924 10.7091 7.26832 11.993 5.87892 7.80463 9.67882 13.8543 numMergedOcc 0
49 mol 205 unq 1 iso 1 dist 5.96555 4.12904 8.52924 5.87892 7.80463 9.67882 10.7091 7.26832 11.993 13.8543 numMergedOcc 0
50 mol 214 unq 0 iso 0 dist 9.51764 8.79059 9.92165 6.28065 9.65138 10.1227 11.2159 7.14453 6.83063 9.10746 numMergedOcc 0
51 mol 214 unq 0 iso 1 dist 9.51764 8.79059 9.92165 11.2159 7.14453 6.83063 6.28065 9.65138 10.1227 9.10746 numMergedOcc 0
52 mol 214 unq 1 iso 0 dist 9.51764 8.79059 9.92165 6.28065 9.65138 10.1227 6.53326 8.85478 12.7439 4.40923 numMergedOcc 0
53 mol 214 unq 1 iso 1 dist 9.51764 8.79059 9.92165 6.53326 8.85478 12.7439 6.28065 9.65138 10.1227 4.40923 numMergedOcc 0
54 mol 214 unq 1 iso 0 dist 9.51764 8.79059 9.92165 11.2159 7.14453 6.83063 6.53326 8.85478 12.7439 11.3796 numMergedOcc 0
55 mol 214 unq 1 iso 1 dist 9.51764 8.79059 9.92165 6.53326 8.85478 12.7439 11.2159 7.14453 6.83063 11.3796 numMergedOcc 0
56 mol 214 unq 2 iso 0 dist 5.36829 10.6379 9.92165 11.7583 9.65138 10.1227 4.98764 7.14453 6.83063 9.10746 numMergedOcc 0
57 mol 214 unq 2 iso 1 dist 5.36829 10.6379 9.92165 4.98764 7.14453 6.83063 11.7583 9.65138 10.1227 9.10746 numMergedOcc 0
58 mol 214 unq 3 iso 0 dist 5.36829 10.6379 9.92165 11.7583 9.65138 10.1227 12.3481 8.85478 12.7439 4.40923 numMergedOcc 0
59 mol 214 unq 3 iso 1 dist 5.36829 10.6379 9.92165 12.3481 8.85478 12.7439 11.7583 9.65138 10.1227 4.40923 numMergedOcc 0
60 mol 214 unq 3 iso 0 dist 5.36829 10.6379 9.92165 4.98764 7.14453 6.83063 12.3481 8.85478 12.7439 11.3796 numMergedOcc 0
61 mol 214 unq 3 iso 1 dist 5.36829 10.6379 9.92165 12.3481 8.85478 12.7439 4.98764 7.14453 6.83063 11.3796 numMergedOcc 0
62 mol 224 unq 0 iso 0 dist 8.46129 6.32111 8.80858 6.31508 6.65832 4.46743 5.72088 6.60589 4.93626 6.77699 numMergedOcc 0
63 mol 224 unq 0 iso 1 dist 8.46129 6.32111 8.80858 5.72088 6.60589 4.93626 6.31508 6.65832 4.46743 6.77699 numMergedOcc 0
64 mol 224 unq 1 iso 0 dist 8.46129 6.32111 8.80858 6.31508 6.65832 4.46743 6.51315 9.16166 11.8641 11.328 numMergedOcc 0
65 mol 224 unq 1 iso 1 dist 8.46129 6.32111 8.80858 6.51315 9.16166 11.8641 6.31508 6.65832 4.46743 11.328 numMergedOcc 0
66 mol 224 unq 1 iso 0 dist 8.46129 6.32111 8.80858 5.72088 6.60589 4.93626 6.51315 9.16166 11.8641 8.49799 numMergedOcc 0
67 mol 224 unq 1 iso 1 dist 8.46129 6.32111 8.80858 6.51315 9.16166 11.8641 5.72088 6.60589 4.93626 8.49799 numMergedOcc 0
68 mol 236 unq 0 iso 0 dist 9.89665 4.93347 6.61371 4.38595 6.84306 5.03564 11.247 7.68742 9.63949 7.28249 numMergedOcc 0
69 mol 236 unq 0 iso 1 dist 9.89665 4.93347 6.61371 11.247 7.68742 9.63949 4.38595 6.84306 5.03564 7.28249 numMergedOcc 0
70 mol 236 unq 1 iso 0 dist 5.66569 4.60599 5.90804 11.2013 9.99038 13.6195 4.15973 6.27581 7.45579 7.28249 numMergedOcc 0
71 mol 236 unq 1 iso 1 dist 5.66569 4.60599 5.90804 4.15973 6.27581 7.45579 11.2013 9.99038 13.6195 7.28249 numMergedOcc 0
72 mol 236 unq 2 iso 0 dist 6.11137 4.24722 5.90804 15.1664 9.99038 13.6195 9.01197 6.27581 7.45579 7.28249 numMergedOcc 0
73 mol 236 unq 2 iso 1 dist 6.11137 4.24722 5.90804 9.01197 6.27581 7.45579 15.1664 9.99038 13.6195 7.28249 numMergedOcc 0
74 mol 249 unq 0 iso 0 dist 6.37672 7.08836 6.26142 9.07501 7.57994 5.59015 4.24014 6.18582 4.77325 5.01979 numMergedOcc 0
75 mol 249 unq 0 iso 1 dist 6.37672 7.08836 6.26142 4.24014 6.18582 4.77325 9.07501 7.57994 5.59015 5.01979 numMergedOcc 0
76 mol 249 unq 1 iso 0 dist 8.94023 9.91022 6.26142 9.53929 7.57994 5.59015 5.36989 6.18582 4.77325 5.01979 numMergedOcc 0
77 mol 249 unq 1 iso 1 dist 8.94023 9.91022 6.26142 5.36989 6.18582 4.77325 9.53929 7.57994 5.59015 5.01979 numMergedOcc 0
78 mol 258 unq 0 iso 0 dist 5.73834 5.66907 9.04358 6.48867 6.60405 8.81588 7.52881 6.42289 5.90131 7.26417 numMergedOcc 0
79 mol 258 unq 0 iso 1 dist 5.73834 5.66907 9.04358 7.52881 6.42289 5.90131 6.48867 6.60405 8.81588 7.26417 numMergedOcc 0
