0 mol 15 unq 0 iso 0 dist 5.19544 5.69927 5.89412 7.63656 7.07399 11.0528 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 5.19544 7.63656 7.07399 5.69927 5.89412 11.0528 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.05148 6.17631 8.6653 5.59268 7.92503 10.6808 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 7.05148 5.59268 7.92503 6.17631 8.6653 10.6808 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.27369 10.2609 6.46104 8.18809 7.36856 7.96502 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 9.27369 8.18809 7.36856 10.2609 6.46104 7.96502 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 8.2746 4.47138 7.56205 10.9596 4.74544 8.62608 numMergedOcc 0
7 mol 62 unq 0 iso 1 dist 8.2746 10.9596 4.74544 4.47138 7.56205 8.62608 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.93987 4.73713 8.18107 4.36394 9.8859 5.04493 numMergedOcc 0
9 mol 92 unq 0 iso 1 dist 5.93987 4.36394 9.8859 4.73713 8.18107 5.04493 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.7913 4.73713 5.9465 4.36394 6.97962 5.04493 numMergedOcc 0
11 mol 92 unq 1 iso 1 dist 7.7913 4.36394 6.97962 4.73713 5.9465 5.04493 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 7.7913 4.73713 5.9465 14.0487 9.95342 9.35561 numMergedOcc 0
13 mol 92 unq 2 iso 1 dist 7.7913 14.0487 9.95342 4.73713 5.9465 9.35561 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 7.7913 4.36394 6.97962 14.0487 9.95342 12.7769 numMergedOcc 0
15 mol 92 unq 2 iso 1 dist 7.7913 14.0487 9.95342 4.36394 6.97962 12.7769 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.94696 12.4265 6.7117 7.1452 4.47349 8.40073 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 5.94696 7.1452 4.47349 12.4265 6.7117 8.40073 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.94696 12.4265 6.7117 4.96747 5.65185 10.2427 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 5.94696 4.96747 5.65185 12.4265 6.7117 10.2427 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 5.94696 7.1452 4.47349 4.96747 5.65185 5.02887 numMergedOcc 0
21 mol 98 unq 1 iso 1 dist 5.94696 4.96747 5.65185 7.1452 4.47349 5.02887 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.6561 10.0114 9.97654 7.36833 6.66772 6.69554 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 8.6561 7.36833 6.66772 10.0114 9.97654 6.69554 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 8.6561 10.0114 9.97654 5.27217 7.71248 6.761 numMergedOcc 0
25 mol 133 unq 1 iso 1 dist 8.6561 5.27217 7.71248 10.0114 9.97654 6.761 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 8.6561 7.36833 6.66772 5.27217 7.71248 7.6656 numMergedOcc 0
27 mol 133 unq 1 iso 1 dist 8.6561 5.27217 7.71248 7.36833 6.66772 7.6656 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 9.04845 14.5617 6.16242 13.7612 5.87634 7.81217 numMergedOcc 0
29 mol 133 unq 2 iso 1 dist 9.04845 13.7612 5.87634 14.5617 6.16242 7.81217 numMergedOcc 0
30 mol 133 unq 3 iso 0 dist 7.94325 11.4104 6.16242 12.9605 5.87634 7.81217 numMergedOcc 0
31 mol 133 unq 3 iso 1 dist 7.94325 12.9605 5.87634 11.4104 6.16242 7.81217 numMergedOcc 0
32 mol 133 unq 4 iso 0 dist 6.72323 10.2385 6.16242 4.64588 5.87634 7.81217 numMergedOcc 0
33 mol 133 unq 4 iso 1 dist 6.72323 4.64588 5.87634 10.2385 6.16242 7.81217 numMergedOcc 0
34 mol 135 unq 0 iso 0 dist 5.43728 8.13139 5.62052 5.88534 7.85645 6.57193 numMergedOcc 0
35 mol 135 unq 0 iso 1 dist 5.43728 5.88534 7.85645 8.13139 5.62052 6.57193 numMergedOcc 0
36 mol 146 unq 0 iso 0 dist 7.13378 8.76758 8.84535 6.347 8.82188 9.83507 numMergedOcc 0
37 mol 146 unq 0 iso 1 dist 7.13378 6.347 8.82188 8.76758 8.84535 9.83507 numMergedOcc 0
38 mol 148 unq 0 iso 0 dist 9.80819 9.27313 6.22055 12.8573 8.18085 5.99954 numMergedOcc 0
39 mol 148 unq 0 iso 1 dist 9.80819 12.8573 8.18085 9.27313 6.22055 5.99954 numMergedOcc 0
40 mol 150 unq 0 iso 0 dist 9.81665 9.25213 6.14675 12.8265 7.94889 5.93095 numMergedOcc 0
41 mol 150 unq 0 iso 1 dist 9.81665 12.8265 7.94889 9.25213 6.14675 5.93095 numMergedOcc 0
42 mol 170 unq 0 iso 0 dist 9.53158 8.89464 9.10511 7.71028 6.35982 6.52462 numMergedOcc 0
43 mol 170 unq 0 iso 1 dist 9.53158 7.71028 6.35982 8.89464 9.10511 6.52462 numMergedOcc 0
44 mol 195 unq 0 iso 0 dist 8.80931 5.90604 7.36683 8.97729 9.26504 10.7531 numMergedOcc 0
45 mol 195 unq 0 iso 1 dist 8.80931 8.97729 9.26504 5.90604 7.36683 10.7531 numMergedOcc 0
46 mol 226 unq 0 iso 0 dist 7.04477 10.0275 8.80683 5.47434 6.11704 5.16662 numMergedOcc 0
47 mol 226 unq 0 iso 1 dist 7.04477 5.47434 6.11704 10.0275 8.80683 5.16662 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 7.26887 4.39639 8.94014 6.57364 7.02333 5.6348 numMergedOcc 0
49 mol 238 unq 0 iso 1 dist 7.26887 6.57364 7.02333 4.39639 8.94014 5.6348 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 7.26887 4.39639 8.94014 10.9854 8.67864 8.87326 numMergedOcc 0
51 mol 238 unq 1 iso 1 dist 7.26887 10.9854 8.67864 4.39639 8.94014 8.87326 numMergedOcc 0
52 mol 238 unq 1 iso 0 dist 7.26887 6.57364 7.02333 10.9854 8.67864 5.31152 numMergedOcc 0
53 mol 238 unq 1 iso 1 dist 7.26887 10.9854 8.67864 6.57364 7.02333 5.31152 numMergedOcc 0
54 mol 243 unq 0 iso 0 dist 8.55613 11.7757 7.49645 11.9474 9.9222 5.37618 numMergedOcc 0
55 mol 243 unq 0 iso 1 dist 8.55613 11.9474 9.9222 11.7757 7.49645 5.37618 numMergedOcc 0
56 mol 249 unq 0 iso 0 dist 6.58109 9.9244 5.48118 9.9973 7.25858 5.3927 numMergedOcc 0
57 mol 249 unq 0 iso 1 dist 6.58109 9.9973 7.25858 9.9244 5.48118 5.3927 numMergedOcc 0
58 mol 258 unq 0 iso 0 dist 8.63176 8.27707 9.63959 13.5559 9.96262 12.4198 numMergedOcc 0
59 mol 258 unq 0 iso 1 dist 8.63176 13.5559 9.96262 8.27707 9.63959 12.4198 numMergedOcc 0
60 mol 258 unq 1 iso 0 dist 8.63176 8.27707 9.63959 6.48867 7.21311 12.321 numMergedOcc 0
61 mol 258 unq 1 iso 1 dist 8.63176 6.48867 7.21311 8.27707 9.63959 12.321 numMergedOcc 0
62 mol 258 unq 1 iso 0 dist 8.63176 13.5559 9.96262 6.48867 7.21311 10.7374 numMergedOcc 0
63 mol 258 unq 1 iso 1 dist 8.63176 6.48867 7.21311 13.5559 9.96262 10.7374 numMergedOcc 0
64 mol 273 unq 0 iso 0 dist 6.38341 5.75973 8.83865 9.40198 9.18157 5.96724 numMergedOcc 0
65 mol 273 unq 0 iso 1 dist 6.38341 9.40198 9.18157 5.75973 8.83865 5.96724 numMergedOcc 0
66 mol 287 unq 0 iso 0 dist 7.76945 5.25853 8.91712 7.19628 9.65934 10.9208 numMergedOcc 0
67 mol 287 unq 0 iso 1 dist 7.76945 7.19628 9.65934 5.25853 8.91712 10.9208 numMergedOcc 0
68 mol 288 unq 0 iso 0 dist 7.76945 5.25853 8.91712 7.19628 9.65934 10.9208 numMergedOcc 0
69 mol 288 unq 0 iso 1 dist 7.76945 7.19628 9.65934 5.25853 8.91712 10.9208 numMergedOcc 0
70 mol 289 unq 0 iso 0 dist 7.76945 5.25853 8.91712 7.19628 9.65934 10.9208 numMergedOcc 0
71 mol 289 unq 0 iso 1 dist 7.76945 7.19628 9.65934 5.25853 8.91712 10.9208 numMergedOcc 0
