0 mol 9 unq 0 iso 0 dist 7.25179 5.35846 8.72522 13.7 8.57077 16.5569 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.72522 5.35846 7.25179 16.5569 8.57077 13.7 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 7.0208 4.30684 7.28563 10.5465 9.58196 12.3645 numMergedOcc 0
3 mol 14 unq 0 iso 1 dist 7.28563 4.30684 7.0208 12.3645 9.58196 10.5465 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 7.34549 8.78783 8.09068 4.76147 8.34347 6.30129 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 8.09068 8.78783 7.34549 6.30129 8.34347 4.76147 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 7.34549 10.1524 9.72289 4.76147 8.34347 5.93227 numMergedOcc 0
7 mol 26 unq 1 iso 1 dist 9.72289 10.1524 7.34549 5.93227 8.34347 4.76147 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 8.09068 4.72556 9.72289 6.30129 8.34347 5.93227 numMergedOcc 0
9 mol 26 unq 1 iso 1 dist 9.72289 4.72556 8.09068 5.93227 8.34347 6.30129 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.04163 7.88286 8.88953 6.34076 5.93252 3.92763 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 8.88953 7.88286 6.04163 3.92763 5.93252 6.34076 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.55238 9.71545 9.85406 7.30086 7.88289 10.2242 numMergedOcc 0
13 mol 95 unq 0 iso 1 dist 9.85406 9.71545 8.55238 10.2242 7.88289 7.30086 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.55238 9.71545 9.85406 10.7376 9.01083 16.7843 numMergedOcc 0
15 mol 95 unq 1 iso 1 dist 9.85406 9.71545 8.55238 16.7843 9.01083 10.7376 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 8.55238 8.67638 5.76199 7.30086 7.88289 5.58096 numMergedOcc 0
17 mol 95 unq 2 iso 1 dist 5.76199 8.67638 8.55238 5.58096 7.88289 7.30086 numMergedOcc 0
18 mol 95 unq 3 iso 0 dist 8.55238 8.67638 5.76199 10.7376 9.01083 11.5715 numMergedOcc 0
19 mol 95 unq 3 iso 1 dist 5.76199 8.67638 8.55238 11.5715 9.01083 10.7376 numMergedOcc 0
20 mol 95 unq 2 iso 0 dist 9.85406 6.09051 5.76199 10.2242 7.88289 5.58096 numMergedOcc 0
21 mol 95 unq 2 iso 1 dist 5.76199 6.09051 9.85406 5.58096 7.88289 10.2242 numMergedOcc 0
22 mol 95 unq 3 iso 0 dist 9.85406 6.09051 5.76199 16.7843 9.01083 11.5715 numMergedOcc 0
23 mol 95 unq 3 iso 1 dist 5.76199 6.09051 9.85406 11.5715 9.01083 16.7843 numMergedOcc 0
24 mol 95 unq 4 iso 0 dist 9.17862 11.4493 8.27456 15.821 7.27724 9.7565 numMergedOcc 0
25 mol 95 unq 4 iso 1 dist 8.27456 11.4493 9.17862 9.7565 7.27724 15.821 numMergedOcc 0
26 mol 120 unq 0 iso 0 dist 8.20009 4.35802 8.14799 10.7527 8.75408 9.8469 numMergedOcc 0
27 mol 120 unq 0 iso 1 dist 8.14799 4.35802 8.20009 9.8469 8.75408 10.7527 numMergedOcc 0
28 mol 120 unq 1 iso 0 dist 8.20009 4.35802 8.14799 5.6257 6.44653 5.0256 numMergedOcc 0
29 mol 120 unq 1 iso 1 dist 8.14799 4.35802 8.20009 5.0256 6.44653 5.6257 numMergedOcc 0
30 mol 178 unq 0 iso 0 dist 7.14849 13.329 8.63718 6.96904 6.69288 11.5509 numMergedOcc 0
31 mol 178 unq 0 iso 1 dist 8.63718 13.329 7.14849 11.5509 6.69288 6.96904 numMergedOcc 0
32 mol 178 unq 1 iso 0 dist 7.14849 13.329 8.63718 7.57303 6.43573 7.31401 numMergedOcc 0
33 mol 178 unq 1 iso 1 dist 8.63718 13.329 7.14849 7.31401 6.43573 7.57303 numMergedOcc 0
34 mol 178 unq 2 iso 0 dist 7.14849 13.329 8.63718 14.0459 7.17202 5.91018 numMergedOcc 0
35 mol 178 unq 2 iso 1 dist 8.63718 13.329 7.14849 5.91018 7.17202 14.0459 numMergedOcc 0
36 mol 178 unq 3 iso 0 dist 7.14849 13.329 8.63718 14.3001 8.81551 4.92895 numMergedOcc 0
37 mol 178 unq 3 iso 1 dist 8.63718 13.329 7.14849 4.92895 8.81551 14.3001 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.50454 14.4101 8.80581 11.755 7.63312 10.209 numMergedOcc 0
39 mol 181 unq 0 iso 1 dist 8.80581 14.4101 9.50454 10.209 7.63312 11.755 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 6.20646 9.36519 6.73266 5.21426 7.10633 5.57112 numMergedOcc 0
41 mol 204 unq 0 iso 1 dist 6.73266 9.36519 6.20646 5.57112 7.10633 5.21426 numMergedOcc 0
42 mol 204 unq 1 iso 0 dist 6.20646 9.36519 6.73266 8.35604 8.51516 12.1292 numMergedOcc 0
43 mol 204 unq 1 iso 1 dist 6.73266 9.36519 6.20646 12.1292 8.51516 8.35604 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 6.15754 6.13759 6.6281 11.8245 8.34494 6.65785 numMergedOcc 0
45 mol 234 unq 0 iso 1 dist 6.6281 6.13759 6.15754 6.65785 8.34494 11.8245 numMergedOcc 0
46 mol 234 unq 1 iso 0 dist 6.15754 6.13759 6.6281 12.4455 6.56247 10.0624 numMergedOcc 0
47 mol 234 unq 1 iso 1 dist 6.6281 6.13759 6.15754 10.0624 6.56247 12.4455 numMergedOcc 0
48 mol 234 unq 2 iso 0 dist 6.15754 6.13759 6.6281 14.0876 9.36357 13.9869 numMergedOcc 0
49 mol 234 unq 2 iso 1 dist 6.6281 6.13759 6.15754 13.9869 9.36357 14.0876 numMergedOcc 0
50 mol 234 unq 3 iso 0 dist 8.9413 13.4027 4.91961 12.4455 9.45496 11.5103 numMergedOcc 0
51 mol 234 unq 3 iso 1 dist 4.91961 13.4027 8.9413 11.5103 9.45496 12.4455 numMergedOcc 0
52 mol 234 unq 4 iso 0 dist 8.9413 13.4027 4.91961 14.0876 6.7625 4.98993 numMergedOcc 0
53 mol 234 unq 4 iso 1 dist 4.91961 13.4027 8.9413 4.98993 6.7625 14.0876 numMergedOcc 0
54 mol 243 unq 0 iso 0 dist 8.69557 9.51432 4.89168 9.51148 8.23192 6.50608 numMergedOcc 0
55 mol 243 unq 0 iso 1 dist 4.89168 9.51432 8.69557 6.50608 8.23192 9.51148 numMergedOcc 0
56 mol 265 unq 0 iso 0 dist 6.78702 7.24033 8.59825 4.75685 8.4218 11.5105 numMergedOcc 0
57 mol 265 unq 0 iso 1 dist 8.59825 7.24033 6.78702 11.5105 8.4218 4.75685 numMergedOcc 0
