0 mol 7 unq 0 iso 0 dist 8.02892 5.38502 6.7985 6.72215 6.55304 9.60499 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.02892 7.39982 9.68596 15.2879 14.7759 8.41585 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.0266 6.25083 6.62144 9.04385 5.39089 4.86568 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.65191 12.8297 8.70827 10.3343 5.59311 5.54419 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.65191 7.93303 9.12854 10.3343 5.59311 7.36323 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 6.69002 11.8565 6.85556 12.1471 5.68392 6.03987 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 5.7405 10.4238 6.14538 5.59773 4.29856 6.83299 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 9.78973 7.91078 7.16773 14.838 6.63327 8.66265 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.88172 12.965 8.80614 15.9015 10.2049 6.86465 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 7.88172 12.965 8.80614 12.9181 9.95364 6.62496 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 7.88172 12.965 8.80614 10.671 5.49591 6.35756 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.91141 9.19589 9.24757 10.1845 5.11416 9.96396 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.91141 9.19589 9.24757 10.8928 6.56633 6.19304 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 6.91141 9.19589 9.24757 12.1403 15.3808 8.70481 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 5.79841 13.8798 9.82915 10.7029 9.29301 7.97049 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 5.79841 13.8798 9.82915 14.7997 13.5116 7.47541 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 7.44343 11.8037 6.95572 9.514 9.50382 7.4729 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 7.44343 11.8037 6.95572 13.0248 7.56363 6.82344 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.1593 12.3004 7.80975 16.8925 7.97897 8.87449 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 9.1593 10.9755 7.10378 16.6322 10.6848 7.17106 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 5.58734 6.83988 8.00003 12.1173 10.4376 6.18601 numMergedOcc 0
21 mol 125 unq 0 iso 0 dist 9.2657 9.19339 9.3778 14.6763 11.0769 8.62381 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 9.86237 12.2044 6.28565 15.594 6.30169 9.61051 numMergedOcc 0
23 mol 129 unq 1 iso 0 dist 9.86237 12.2044 6.28565 11.5151 4.55551 5.83384 numMergedOcc 0
24 mol 130 unq 0 iso 0 dist 5.96506 5.15286 7.96646 10.2741 6.73735 9.28393 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 5.80404 6.80292 9.22232 13.0521 16.0138 7.11802 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 5.75595 11.2897 7.78652 11.3921 6.48978 5.99315 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 8.32227 9.67236 8.61587 17.1888 12.4274 8.34702 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 8.32227 9.67236 8.61587 16.6532 10.9151 9.06726 numMergedOcc 0
29 mol 156 unq 2 iso 0 dist 8.32227 9.67236 8.61587 14.0336 6.98125 8.33171 numMergedOcc 0
30 mol 156 unq 3 iso 0 dist 7.70894 11.8579 9.47433 16.1718 11.9952 7.44554 numMergedOcc 0
31 mol 156 unq 4 iso 0 dist 9.6281 5.0966 9.44367 7.30021 5.4555 7.44554 numMergedOcc 0
32 mol 156 unq 5 iso 0 dist 9.6281 5.75141 7.90267 10.6034 6.03934 7.66148 numMergedOcc 0
33 mol 156 unq 6 iso 0 dist 9.6281 5.75141 7.90267 7.30021 5.4555 8.94056 numMergedOcc 0
34 mol 156 unq 7 iso 0 dist 6.22667 9.07974 9.44367 10.0734 5.4555 7.44554 numMergedOcc 0
35 mol 156 unq 8 iso 0 dist 6.22667 5.70205 7.90267 6.71202 6.03934 7.66148 numMergedOcc 0
36 mol 156 unq 9 iso 0 dist 6.22667 5.70205 7.90267 10.0734 5.4555 8.94056 numMergedOcc 0
37 mol 167 unq 0 iso 0 dist 9.69399 12.5567 9.67741 20.4488 13.0123 9.87651 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 6.66608 11.067 9.39829 11.5992 7.20191 7.81386 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 6.66608 5.16386 6.41453 11.5992 7.20191 7.63312 numMergedOcc 0
40 mol 182 unq 0 iso 0 dist 9.68323 5.40949 6.73956 7.86625 7.68794 9.31746 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 6.05667 6.4623 5.44002 10.156 10.3603 7.26832 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 9.05637 6.24624 6.59716 13.1834 7.11498 9.23153 numMergedOcc 0
43 mol 223 unq 0 iso 0 dist 6.64193 4.67731 7.48463 12.0111 11.8654 8.77153 numMergedOcc 0
44 mol 223 unq 1 iso 0 dist 6.64193 4.67731 7.48463 10.6785 6.05524 8.6166 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 8.61546 14.5234 7.43071 10.2913 6.00424 9.34734 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 8.61546 14.5234 7.43071 14.5974 6.35849 7.22101 numMergedOcc 0
47 mol 227 unq 2 iso 0 dist 8.61546 14.5234 7.43071 17.402 10.204 8.65997 numMergedOcc 0
48 mol 227 unq 3 iso 0 dist 8.61546 14.5234 7.43071 13.1699 9.76735 7.56888 numMergedOcc 0
49 mol 227 unq 4 iso 0 dist 8.61546 14.5234 7.43071 11.3667 9.32448 7.55216 numMergedOcc 0
50 mol 227 unq 5 iso 0 dist 8.61546 13.552 6.02296 14.5974 6.35849 7.09863 numMergedOcc 0
51 mol 232 unq 0 iso 0 dist 6.23146 13.6402 9.05071 9.36645 8.80479 8.27212 numMergedOcc 0
52 mol 235 unq 0 iso 0 dist 6.20377 12.3562 9.55668 11.5033 7.60081 5.4638 numMergedOcc 0
53 mol 248 unq 0 iso 0 dist 8.53033 6.12544 7.16525 12.4697 4.30004 9.56569 numMergedOcc 0
54 mol 249 unq 0 iso 0 dist 4.68783 9.82483 5.48118 15.3404 10.7772 7.57994 numMergedOcc 0
55 mol 249 unq 1 iso 0 dist 4.68783 9.82483 5.48118 11.128 7.04666 6.18582 numMergedOcc 0
56 mol 259 unq 0 iso 0 dist 9.69025 5.71237 7.98231 6.77279 8.41846 8.13497 numMergedOcc 0
57 mol 259 unq 1 iso 0 dist 9.69025 5.71237 7.98231 9.58006 8.81835 7.88519 numMergedOcc 0
58 mol 259 unq 2 iso 0 dist 9.69025 11.8501 7.08526 9.58006 8.81835 7.46176 numMergedOcc 0
59 mol 264 unq 0 iso 0 dist 9.14393 10.0289 7.16853 16.8589 11.1431 9.361 numMergedOcc 0
60 mol 264 unq 1 iso 0 dist 9.14393 10.0289 7.16853 6.75305 5.00209 6.24356 numMergedOcc 0
61 mol 274 unq 0 iso 0 dist 9.02661 17.306 8.52587 12.0331 5.29529 7.56915 numMergedOcc 0
