0 mol 7 unq 0 iso 0 dist 9.68596 9.87885 10.1841 9.0379 6.7985 10.25 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.72114 9.67164 5.5683 11.8172 6.02702 10.2465 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.99972 5.99459 6.12483 5.13353 9.68006 10.1349 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.03958 6.56356 4.1204 12.4076 8.53529 12.536 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.03958 6.56356 4.1204 10.9495 7.18019 9.01112 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 7.03958 6.56356 4.1204 8.09332 8.44009 7.62333 numMergedOcc 0
6 mol 8 unq 3 iso 0 dist 7.18019 9.01112 4.1204 10.9495 7.03958 6.56356 numMergedOcc 0
7 mol 8 unq 4 iso 0 dist 7.18019 9.01112 4.1204 8.4069 8.53529 12.536 numMergedOcc 0
8 mol 8 unq 5 iso 0 dist 7.18019 9.01112 4.1204 6.23795 8.44009 7.62333 numMergedOcc 0
9 mol 8 unq 6 iso 0 dist 8.44009 7.62333 4.1204 8.09332 7.03958 6.56356 numMergedOcc 0
10 mol 8 unq 7 iso 0 dist 8.44009 7.62333 4.1204 12.9016 8.53529 12.536 numMergedOcc 0
11 mol 8 unq 8 iso 0 dist 8.44009 7.62333 4.1204 6.23795 7.18019 9.01112 numMergedOcc 0
12 mol 9 unq 0 iso 0 dist 7.32257 8.30653 10.6575 6.14147 6.55811 13.3228 numMergedOcc 0
13 mol 9 unq 1 iso 0 dist 7.32257 8.30653 10.6575 10.5747 8.64915 16.2613 numMergedOcc 0
14 mol 15 unq 0 iso 0 dist 6.42748 8.85174 5.20798 11.7498 7.48342 9.84471 numMergedOcc 0
15 mol 24 unq 0 iso 0 dist 9.41441 7.95042 10.0453 11.4989 6.73939 10.9113 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 8.70827 6.6219 4.04519 12.3067 9.12854 11.0181 numMergedOcc 0
17 mol 24 unq 2 iso 0 dist 8.70827 5.68215 13.7009 12.3067 9.12854 17.003 numMergedOcc 0
18 mol 24 unq 3 iso 0 dist 6.73939 6.6219 12.5545 11.4989 9.41441 17.6792 numMergedOcc 0
19 mol 24 unq 4 iso 0 dist 6.73939 5.68215 4.08755 11.4989 9.41441 12.5088 numMergedOcc 0
20 mol 24 unq 5 iso 0 dist 8.60554 8.09311 15.4445 14.6259 8.4051 20.3516 numMergedOcc 0
21 mol 24 unq 6 iso 0 dist 8.60554 8.09311 15.4445 10.0952 7.29868 16.0162 numMergedOcc 0
22 mol 24 unq 7 iso 0 dist 8.60554 9.05357 11.8971 14.6259 8.4051 12.5061 numMergedOcc 0
23 mol 24 unq 8 iso 0 dist 8.60554 9.05357 11.8971 10.0952 7.29868 16.8554 numMergedOcc 0
24 mol 24 unq 9 iso 0 dist 9.44691 8.09311 13.0295 14.6259 8.75662 20.3516 numMergedOcc 0
25 mol 24 unq 10 iso 0 dist 9.44691 9.05357 4.02219 14.6259 8.75662 12.5061 numMergedOcc 0
26 mol 24 unq 11 iso 0 dist 9.12854 8.87744 9.86385 12.3067 8.70827 10.4135 numMergedOcc 0
27 mol 24 unq 12 iso 0 dist 9.12854 7.27472 10.4353 12.3067 8.70827 9.33482 numMergedOcc 0
28 mol 25 unq 0 iso 0 dist 8.87757 7.05196 3.904 15.5644 8.50222 10.9703 numMergedOcc 0
29 mol 25 unq 1 iso 0 dist 8.87757 7.05196 3.904 16.1048 7.55264 10.3338 numMergedOcc 0
30 mol 25 unq 2 iso 0 dist 6.16347 4.79873 5.46578 10.9391 7.45383 12.3944 numMergedOcc 0
31 mol 25 unq 3 iso 0 dist 6.16347 9.48085 9.62058 10.9391 7.45383 9.49421 numMergedOcc 0
32 mol 25 unq 4 iso 0 dist 7.45383 7.52933 11.0227 10.9391 6.16347 16.4232 numMergedOcc 0
33 mol 25 unq 5 iso 0 dist 7.45383 6.55597 4.98822 10.9391 6.16347 11.037 numMergedOcc 0
34 mol 25 unq 6 iso 0 dist 7.45383 9.71956 10.3547 10.9391 6.16347 14.581 numMergedOcc 0
35 mol 25 unq 7 iso 0 dist 7.45383 7.07751 7.91914 10.9391 6.16347 13.0315 numMergedOcc 0
36 mol 25 unq 8 iso 0 dist 7.45383 8.23761 11.7069 10.9391 6.16347 17.2964 numMergedOcc 0
37 mol 25 unq 9 iso 0 dist 7.45383 9.49421 9.62058 10.9391 6.16347 9.48085 numMergedOcc 0
38 mol 25 unq 10 iso 0 dist 8.6653 7.6114 10.8122 10.6808 7.92503 16.617 numMergedOcc 0
39 mol 25 unq 11 iso 0 dist 7.92503 4.79873 11.0175 10.6808 8.6653 11.4732 numMergedOcc 0
40 mol 25 unq 12 iso 0 dist 7.92503 9.48085 10.2758 10.6808 8.6653 17.8732 numMergedOcc 0
41 mol 30 unq 0 iso 0 dist 7.12365 6.07517 4.98558 5.34368 8.1284 6.74179 numMergedOcc 0
42 mol 30 unq 1 iso 0 dist 8.1284 6.74179 4.98558 5.34368 7.12365 6.07517 numMergedOcc 0
43 mol 58 unq 0 iso 0 dist 5.93884 9.22598 5.66912 5.30792 9.92355 13.3281 numMergedOcc 0
44 mol 58 unq 1 iso 0 dist 5.93884 9.22598 5.66912 4.81926 7.68678 8.96727 numMergedOcc 0
45 mol 58 unq 2 iso 0 dist 7.68678 8.96727 5.66912 5.35073 9.92355 13.3281 numMergedOcc 0
46 mol 58 unq 3 iso 0 dist 7.68678 8.96727 5.66912 4.81926 5.93884 9.22598 numMergedOcc 0
47 mol 58 unq 4 iso 0 dist 7.68678 8.01308 5.76523 5.35073 9.92355 11.5155 numMergedOcc 0
48 mol 58 unq 5 iso 0 dist 7.68678 8.01308 5.76523 4.81926 5.93884 9.55996 numMergedOcc 0
49 mol 62 unq 0 iso 0 dist 7.56205 9.69044 4.09232 8.62608 4.74544 6.9103 numMergedOcc 0
50 mol 62 unq 1 iso 0 dist 4.74544 6.9103 4.09232 8.62608 7.56205 9.69044 numMergedOcc 0
51 mol 85 unq 0 iso 0 dist 7.54568 7.7068 4.93735 10.1164 9.39864 11.2056 numMergedOcc 0
52 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 8.40073 4.47349 5.2571 numMergedOcc 0
53 mol 98 unq 1 iso 0 dist 6.7117 5.10496 3.94967 10.2427 5.65185 8.7497 numMergedOcc 0
54 mol 98 unq 2 iso 0 dist 7.23884 9.64383 12.82 7.51619 5.78706 11.2061 numMergedOcc 0
55 mol 98 unq 3 iso 0 dist 7.23884 9.64383 12.82 11.4338 5.59328 14.7009 numMergedOcc 0
56 mol 98 unq 4 iso 0 dist 7.23884 9.64383 12.82 9.30161 7.5242 16.3626 numMergedOcc 0
57 mol 98 unq 5 iso 0 dist 4.47349 7.54889 3.92737 8.40073 6.7117 9.81956 numMergedOcc 0
58 mol 98 unq 6 iso 0 dist 4.47349 7.54889 3.92737 5.02887 5.65185 7.78931 numMergedOcc 0
59 mol 98 unq 7 iso 0 dist 4.47349 5.2571 3.94967 8.40073 6.7117 5.10496 numMergedOcc 0
60 mol 98 unq 8 iso 0 dist 4.47349 5.2571 3.94967 5.02887 5.65185 8.7497 numMergedOcc 0
61 mol 98 unq 9 iso 0 dist 5.65185 7.78931 3.92737 10.2427 6.7117 9.81956 numMergedOcc 0
62 mol 98 unq 10 iso 0 dist 5.65185 7.78931 3.92737 5.02887 4.47349 7.54889 numMergedOcc 0
63 mol 98 unq 11 iso 0 dist 5.65185 8.7497 3.94967 10.2427 6.7117 5.10496 numMergedOcc 0
64 mol 98 unq 12 iso 0 dist 5.65185 8.7497 3.94967 5.02887 4.47349 5.2571 numMergedOcc 0
65 mol 100 unq 0 iso 0 dist 7.80975 9.90751 15.0328 10.8586 7.10378 15.6594 numMergedOcc 0
66 mol 100 unq 1 iso 0 dist 7.80975 9.21662 12.48 10.8586 7.10378 10.5432 numMergedOcc 0
67 mol 119 unq 0 iso 0 dist 9.11344 6.99446 5.37917 4.85907 6.52773 7.64052 numMergedOcc 0
68 mol 119 unq 1 iso 0 dist 6.52773 7.64052 5.37917 4.85907 9.11344 6.99446 numMergedOcc 0
69 mol 130 unq 0 iso 0 dist 7.90048 9.98797 6.39648 10.5137 8.78276 12.8798 numMergedOcc 0
70 mol 130 unq 1 iso 0 dist 7.90048 9.98797 6.39648 7.01619 7.88805 10.4806 numMergedOcc 0
71 mol 130 unq 2 iso 0 dist 7.90048 9.98797 6.39648 10.7116 7.96646 14.3291 numMergedOcc 0
72 mol 133 unq 0 iso 0 dist 7.71248 8.26547 8.88402 6.761 9.97654 12.4934 numMergedOcc 0
73 mol 133 unq 1 iso 0 dist 7.71248 8.26547 8.88402 7.6656 6.66772 13.5471 numMergedOcc 0
74 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 5.00526 7.69991 11.2896 numMergedOcc 0
75 mol 134 unq 1 iso 0 dist 6.23142 9.33094 6.93712 6.81259 9.94764 8.69531 numMergedOcc 0
76 mol 134 unq 2 iso 0 dist 9.94764 9.1998 11.5269 11.3271 7.69991 12.4385 numMergedOcc 0
77 mol 134 unq 3 iso 0 dist 9.94764 9.1998 11.5269 6.81259 6.23142 11.0808 numMergedOcc 0
78 mol 134 unq 4 iso 0 dist 9.94764 8.69531 6.93712 11.3271 7.69991 11.2896 numMergedOcc 0
79 mol 134 unq 5 iso 0 dist 9.94764 8.69531 6.93712 6.81259 6.23142 9.33094 numMergedOcc 0
80 mol 181 unq 0 iso 0 dist 6.2479 9.76212 6.39406 6.01247 6.22122 8.59874 numMergedOcc 0
81 mol 181 unq 1 iso 0 dist 6.2479 9.76212 6.39406 8.88798 7.99195 13.2783 numMergedOcc 0
82 mol 181 unq 2 iso 0 dist 6.22122 8.59874 6.39406 6.01247 6.2479 9.76212 numMergedOcc 0
83 mol 181 unq 3 iso 0 dist 6.22122 8.59874 6.39406 12.6324 7.99195 13.2783 numMergedOcc 0
84 mol 186 unq 0 iso 0 dist 7.76163 7.05695 3.78314 14.5862 8.73217 10.8806 numMergedOcc 0
85 mol 186 unq 1 iso 0 dist 8.73217 6.61112 4.03697 14.5862 7.76163 11.651 numMergedOcc 0
86 mol 195 unq 0 iso 0 dist 7.36683 7.41662 8.90504 10.7531 9.26504 16.1768 numMergedOcc 0
87 mol 195 unq 1 iso 0 dist 9.26504 9.03441 8.29668 10.7531 7.36683 14.2497 numMergedOcc 0
88 mol 213 unq 0 iso 0 dist 7.73322 8.21793 8.99471 5.45334 8.14332 12.9743 numMergedOcc 0
89 mol 213 unq 1 iso 0 dist 8.14332 8.22569 6.60887 5.45334 7.73322 10.9843 numMergedOcc 0
90 mol 238 unq 0 iso 0 dist 9.24557 9.72188 17.1065 10.0191 7.57812 14.4013 numMergedOcc 0
91 mol 259 unq 0 iso 0 dist 7.98231 9.46361 4.10176 6.96053 7.08526 6.95511 numMergedOcc 0
92 mol 259 unq 1 iso 0 dist 7.08526 5.85442 4.47425 6.96053 7.98231 10.3406 numMergedOcc 0
93 mol 259 unq 2 iso 0 dist 7.08526 6.95511 4.10176 6.96053 7.98231 9.46361 numMergedOcc 0
94 mol 287 unq 0 iso 0 dist 9.65934 7.45616 5.97664 10.9208 8.91712 13.0848 numMergedOcc 0
95 mol 288 unq 0 iso 0 dist 9.65934 7.45616 5.97664 10.9208 8.91712 13.0848 numMergedOcc 0
96 mol 289 unq 0 iso 0 dist 9.65934 7.45616 5.97664 10.9208 8.91712 13.0848 numMergedOcc 0
