0 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 12.1061 8.4051 5.11617 6.53276 8.23446 13.1779 14.1082 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.54519 13.2653 5.54419 6.53276 8.23446 13.1779 12.1061 8.4051 5.11617 14.1082 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 12.1061 8.4051 5.11617 6.81998 8.75662 10.8238 9.62033 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 9.54519 13.2653 5.54419 6.81998 8.75662 10.8238 12.1061 8.4051 5.11617 9.62033 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 6.53276 8.23446 13.1779 6.81998 8.75662 10.8238 11.342 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 9.54519 13.2653 5.54419 6.81998 8.75662 10.8238 6.53276 8.23446 13.1779 11.342 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 9.54519 5.80023 7.36323 12.1061 8.4051 13.2229 6.53276 8.23446 6.38336 14.1082 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 9.54519 5.80023 7.36323 6.53276 8.23446 6.38336 12.1061 8.4051 13.2229 14.1082 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 9.54519 5.80023 7.36323 12.1061 8.4051 13.2229 6.81998 8.75662 6.7828 9.62033 numMergedOcc 0
9 mol 24 unq 3 iso 1 dist 9.54519 5.80023 7.36323 6.81998 8.75662 6.7828 12.1061 8.4051 13.2229 9.62033 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 9.54519 5.80023 7.36323 6.53276 8.23446 6.38336 6.81998 8.75662 6.7828 11.342 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 9.54519 5.80023 7.36323 6.81998 8.75662 6.7828 6.53276 8.23446 6.38336 11.342 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 6.11056 10.4744 8.86116 11.095 8.60554 8.52463 4.04757 8.44664 10.971 14.1496 numMergedOcc 0
13 mol 24 unq 4 iso 1 dist 6.11056 10.4744 8.86116 4.04757 8.44664 10.971 11.095 8.60554 8.52463 14.1496 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 6.11056 10.4744 8.86116 11.095 8.60554 8.52463 6.66757 9.44691 13.4893 9.62033 numMergedOcc 0
15 mol 24 unq 5 iso 1 dist 6.11056 10.4744 8.86116 6.66757 9.44691 13.4893 11.095 8.60554 8.52463 9.62033 numMergedOcc 0
16 mol 24 unq 5 iso 0 dist 6.11056 10.4744 8.86116 4.04757 8.44664 10.971 6.66757 9.44691 13.4893 10.4263 numMergedOcc 0
17 mol 24 unq 5 iso 1 dist 6.11056 10.4744 8.86116 6.66757 9.44691 13.4893 4.04757 8.44664 10.971 10.4263 numMergedOcc 0
18 mol 24 unq 6 iso 0 dist 6.11056 6.9756 8.38394 11.095 8.60554 12.3994 4.04757 8.44664 5.30734 14.1496 numMergedOcc 0
19 mol 24 unq 6 iso 1 dist 6.11056 6.9756 8.38394 4.04757 8.44664 5.30734 11.095 8.60554 12.3994 14.1496 numMergedOcc 0
20 mol 24 unq 7 iso 0 dist 6.11056 6.9756 8.38394 11.095 8.60554 12.3994 6.66757 9.44691 12.505 9.62033 numMergedOcc 0
21 mol 24 unq 7 iso 1 dist 6.11056 6.9756 8.38394 6.66757 9.44691 12.505 11.095 8.60554 12.3994 9.62033 numMergedOcc 0
22 mol 24 unq 7 iso 0 dist 6.11056 6.9756 8.38394 4.04757 8.44664 5.30734 6.66757 9.44691 12.505 10.4263 numMergedOcc 0
23 mol 24 unq 7 iso 1 dist 6.11056 6.9756 8.38394 6.66757 9.44691 12.505 4.04757 8.44664 5.30734 10.4263 numMergedOcc 0
24 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 4.32173 6.16347 9.34396 15.9662 7.92503 6.11127 12.7398 numMergedOcc 0
25 mol 25 unq 0 iso 1 dist 8.40051 13.466 7.57578 15.9662 7.92503 6.11127 4.32173 6.16347 9.34396 12.7398 numMergedOcc 0
26 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 4.32173 6.16347 10.8498 15.9662 7.92503 5.30154 12.7398 numMergedOcc 0
27 mol 25 unq 1 iso 1 dist 8.40051 14.4191 7.17969 15.9662 7.92503 5.30154 4.32173 6.16347 10.8498 12.7398 numMergedOcc 0
28 mol 25 unq 2 iso 0 dist 8.6396 5.8503 5.04899 4.32173 7.45383 7.33728 16.0077 9.01548 13.9331 12.6805 numMergedOcc 0
29 mol 25 unq 2 iso 1 dist 8.6396 5.8503 5.04899 16.0077 9.01548 13.9331 4.32173 7.45383 7.33728 12.6805 numMergedOcc 0
30 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 11.2266 8.8822 10.1816 9.01097 9.66219 8.42718 4.09459 numMergedOcc 0
31 mol 113 unq 0 iso 1 dist 8.89481 4.36935 5.86073 9.01097 9.66219 8.42718 11.2266 8.8822 10.1816 4.09459 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 5.63005 10.5268 8.73993 4.01593 6.52773 7.20179 13.1254 9.23858 9.89358 12.3703 numMergedOcc 0
33 mol 119 unq 0 iso 1 dist 5.63005 10.5268 8.73993 13.1254 9.23858 9.89358 4.01593 6.52773 7.20179 12.3703 numMergedOcc 0
34 mol 122 unq 0 iso 0 dist 6.78949 7.54208 8.37808 4.21285 8.88537 5.0355 6.93382 9.23819 7.39059 5.03547 numMergedOcc 0
35 mol 122 unq 0 iso 1 dist 6.78949 7.54208 8.37808 6.93382 9.23819 7.39059 4.21285 8.88537 5.0355 5.03547 numMergedOcc 0
36 mol 122 unq 1 iso 0 dist 9.40018 11.0216 8.37808 9.33734 8.88537 5.0355 4.81033 9.23819 7.39059 5.03547 numMergedOcc 0
37 mol 122 unq 1 iso 1 dist 9.40018 11.0216 8.37808 4.81033 9.23819 7.39059 9.33734 8.88537 5.0355 5.03547 numMergedOcc 0
38 mol 129 unq 0 iso 0 dist 6.38163 8.61575 9.61051 7.03404 6.28565 6.30169 4.92611 7.58957 5.68211 7.91034 numMergedOcc 0
39 mol 129 unq 0 iso 1 dist 6.38163 8.61575 9.61051 4.92611 7.58957 5.68211 7.03404 6.28565 6.30169 7.91034 numMergedOcc 0
40 mol 129 unq 1 iso 0 dist 6.38163 10.0961 5.83384 7.03404 6.28565 4.55551 4.92611 7.58957 10.5488 7.91034 numMergedOcc 0
41 mol 129 unq 1 iso 1 dist 6.38163 10.0961 5.83384 4.92611 7.58957 10.5488 7.03404 6.28565 4.55551 7.91034 numMergedOcc 0
42 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 4.34786 8.70296 14.2045 11.6607 9.25558 5.09131 14.5627 numMergedOcc 0
43 mol 131 unq 0 iso 1 dist 7.81337 11.4498 6.85062 11.6607 9.25558 5.09131 4.34786 8.70296 14.2045 14.5627 numMergedOcc 0
44 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 16.7326 9.22232 16.0138 10.2948 9.22661 5.92062 18.2432 numMergedOcc 0
45 mol 133 unq 0 iso 1 dist 9.50322 5.37072 7.11802 10.2948 9.22661 5.92062 16.7326 9.22232 16.0138 18.2432 numMergedOcc 0
46 mol 133 unq 1 iso 0 dist 9.50322 5.37072 7.11802 16.7326 9.22232 16.0138 11.6924 7.56378 6.61891 15.4484 numMergedOcc 0
47 mol 133 unq 1 iso 1 dist 9.50322 5.37072 7.11802 11.6924 7.56378 6.61891 16.7326 9.22232 16.0138 15.4484 numMergedOcc 0
48 mol 133 unq 1 iso 0 dist 9.50322 5.37072 7.11802 10.2948 9.22661 5.92062 11.6924 7.56378 6.61891 7.33253 numMergedOcc 0
49 mol 133 unq 1 iso 1 dist 9.50322 5.37072 7.11802 11.6924 7.56378 6.61891 10.2948 9.22661 5.92062 7.33253 numMergedOcc 0
50 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 11.6678 7.78652 6.48978 11.347 8.91301 5.20762 4.30566 numMergedOcc 0
51 mol 143 unq 0 iso 1 dist 8.30654 11.3469 5.99315 11.347 8.91301 5.20762 11.6678 7.78652 6.48978 4.30566 numMergedOcc 0
52 mol 206 unq 0 iso 0 dist 9.36079 13.6173 7.7366 10.9922 6.16414 6.45859 9.89331 7.33701 4.40897 6.46458 numMergedOcc 0
53 mol 206 unq 0 iso 1 dist 9.36079 13.6173 7.7366 9.89331 7.33701 4.40897 10.9922 6.16414 6.45859 6.46458 numMergedOcc 0
54 mol 206 unq 1 iso 0 dist 9.36079 13.6173 7.7366 10.9922 6.16414 6.45859 8.83984 8.0871 7.62219 9.9892 numMergedOcc 0
55 mol 206 unq 1 iso 1 dist 9.36079 13.6173 7.7366 8.83984 8.0871 7.62219 10.9922 6.16414 6.45859 9.9892 numMergedOcc 0
56 mol 206 unq 1 iso 0 dist 9.36079 13.6173 7.7366 9.89331 7.33701 4.40897 8.83984 8.0871 7.62219 4.38701 numMergedOcc 0
57 mol 206 unq 1 iso 1 dist 9.36079 13.6173 7.7366 8.83984 8.0871 7.62219 9.89331 7.33701 4.40897 4.38701 numMergedOcc 0
58 mol 206 unq 2 iso 0 dist 7.42904 9.96254 7.7366 8.16827 6.16414 6.45859 6.06766 7.33701 4.40897 6.46458 numMergedOcc 0
59 mol 206 unq 2 iso 1 dist 7.42904 9.96254 7.7366 6.06766 7.33701 4.40897 8.16827 6.16414 6.45859 6.46458 numMergedOcc 0
60 mol 206 unq 3 iso 0 dist 7.42904 9.96254 7.7366 8.16827 6.16414 6.45859 5.82916 8.0871 7.62219 9.9892 numMergedOcc 0
61 mol 206 unq 3 iso 1 dist 7.42904 9.96254 7.7366 5.82916 8.0871 7.62219 8.16827 6.16414 6.45859 9.9892 numMergedOcc 0
62 mol 206 unq 3 iso 0 dist 7.42904 9.96254 7.7366 6.06766 7.33701 4.40897 5.82916 8.0871 7.62219 4.38701 numMergedOcc 0
63 mol 206 unq 3 iso 1 dist 7.42904 9.96254 7.7366 5.82916 8.0871 7.62219 6.06766 7.33701 4.40897 4.38701 numMergedOcc 0
64 mol 222 unq 0 iso 0 dist 9.55777 6.54251 8.01589 12.979 7.67576 10.3151 4.05539 9.82371 8.52017 11.3283 numMergedOcc 0
65 mol 222 unq 0 iso 1 dist 9.55777 6.54251 8.01589 4.05539 9.82371 8.52017 12.979 7.67576 10.3151 11.3283 numMergedOcc 0
66 mol 222 unq 1 iso 0 dist 9.55777 15.3892 7.7699 12.979 7.67576 7.81022 4.05539 9.82371 15.7504 11.3283 numMergedOcc 0
67 mol 222 unq 1 iso 1 dist 9.55777 15.3892 7.7699 4.05539 9.82371 15.7504 12.979 7.67576 7.81022 11.3283 numMergedOcc 0
68 mol 222 unq 2 iso 0 dist 9.55777 16.4881 7.21333 12.979 7.67576 7.75656 4.05539 9.82371 16.0949 11.3283 numMergedOcc 0
69 mol 222 unq 2 iso 1 dist 9.55777 16.4881 7.21333 4.05539 9.82371 16.0949 12.979 7.67576 7.75656 11.3283 numMergedOcc 0
70 mol 234 unq 0 iso 0 dist 7.46434 13.0285 8.41436 6.06471 6.30154 7.44558 11.1213 7.32499 10.7902 10.0708 numMergedOcc 0
71 mol 234 unq 0 iso 1 dist 7.46434 13.0285 8.41436 11.1213 7.32499 10.7902 6.06471 6.30154 7.44558 10.0708 numMergedOcc 0
72 mol 234 unq 1 iso 0 dist 7.46434 13.9912 8.92474 6.06471 6.30154 10.9712 11.1213 7.32499 4.4288 10.0708 numMergedOcc 0
73 mol 234 unq 1 iso 1 dist 7.46434 13.9912 8.92474 11.1213 7.32499 4.4288 6.06471 6.30154 10.9712 10.0708 numMergedOcc 0
74 mol 234 unq 2 iso 0 dist 7.50424 6.88707 8.41436 11.2248 6.30154 7.44558 10.6488 7.32499 10.7902 10.0708 numMergedOcc 0
75 mol 234 unq 2 iso 1 dist 7.50424 6.88707 8.41436 10.6488 7.32499 10.7902 11.2248 6.30154 7.44558 10.0708 numMergedOcc 0
76 mol 234 unq 3 iso 0 dist 7.50424 8.96936 8.92474 11.2248 6.30154 10.9712 10.6488 7.32499 4.4288 10.0708 numMergedOcc 0
77 mol 234 unq 3 iso 1 dist 7.50424 8.96936 8.92474 10.6488 7.32499 4.4288 11.2248 6.30154 10.9712 10.0708 numMergedOcc 0
