0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 9.68596 14.7759 13.0969 12.0193 5.99972 10.6471 14.5216 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 7.07399 4.29582 6.33828 4.39605 7.48342 10.0974 6.03257 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.4674 6.20943 5.14627 8.40416 9.74255 11.4087 4.64838 6.41575 5.82366 9.95212 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 4.54938 8.78293 10.9543 7.75618 9.74255 6.2337 4.97119 6.41575 13.1234 9.95212 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 8.23643 6.55187 7.75618 9.74255 14.4867 4.97119 6.41575 11.3136 9.95212 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.54938 7.82528 5.14627 7.75618 9.74255 11.4087 4.97119 6.41575 5.82366 9.95212 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 4.51865 6.20943 4.69858 8.40416 7.08342 11.4087 4.64838 6.41423 5.82366 9.95212 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 4.51865 8.58657 6.74265 6.41423 4.64838 5.90856 7.08342 8.40416 7.02548 9.95212 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 6.864 8.78293 11.4401 7.75618 7.08342 6.2337 4.97119 6.41423 13.1234 9.95212 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 6.864 8.23643 12.3093 7.75618 7.08342 14.4867 4.97119 6.41423 11.3136 9.95212 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 6.864 7.82528 4.69858 7.75618 7.08342 11.4087 4.97119 6.41423 5.82366 9.95212 numMergedOcc 0
11 mol 19 unq 9 iso 0 dist 6.864 8.58657 5.5841 6.41423 4.97119 5.90856 7.08342 7.75618 7.02548 9.95212 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 7.33768 4.32034 5.90981 6.66749 9.41441 13.2857 8.00171 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 6.86014 9.75144 5.39241 9.01567 8.67951 13.2265 6.66749 9.41441 13.2857 4.2121 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 6.86014 9.75144 5.39241 7.29868 8.52463 13.719 6.66749 9.41441 13.2857 6.72323 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 6.03987 7.685 10.3635 8.6653 5.82503 12.9735 5.68392 6.85556 9.71382 12.0452 numMergedOcc 0
16 mol 54 unq 0 iso 0 dist 6.83299 5.02241 5.06052 7.21717 13.86 11.0681 4.29856 6.14538 6.30987 10.7227 numMergedOcc 0
17 mol 58 unq 0 iso 0 dist 6.86465 9.58673 5.92889 8.80614 10.2049 8.88332 5.78774 9.92355 13.7654 10.2007 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 6.86465 8.63333 6.47744 9.92355 5.78774 12.0055 10.2049 8.80614 9.11258 10.2007 numMergedOcc 0
19 mol 58 unq 2 iso 0 dist 6.62496 9.58673 10.2241 8.80614 9.95364 8.88332 5.78774 5.93884 13.7654 10.2007 numMergedOcc 0
20 mol 58 unq 3 iso 0 dist 6.62496 9.64665 4.67832 5.93884 5.78774 5.27642 9.95364 8.80614 10.4309 10.2007 numMergedOcc 0
21 mol 58 unq 4 iso 0 dist 6.35756 9.58673 7.05413 8.80614 5.49591 8.88332 5.78774 7.68678 13.7654 10.2007 numMergedOcc 0
22 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 7.68678 5.78774 12.0055 5.49591 8.80614 9.11258 10.2007 numMergedOcc 0
23 mol 100 unq 0 iso 0 dist 7.17106 6.58204 5.01145 7.01812 8.4128 10.0891 10.6848 7.10378 11.9163 9.5057 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 7.47343 8.72704 10.1589 7.38135 11.2312 11.0949 12.2861 8.30845 9.44658 17.21 numMergedOcc 0
25 mol 100 unq 2 iso 0 dist 7.47343 8.72704 10.1589 7.38135 11.2312 11.0949 15.5385 8.76378 18.5425 18.3027 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 7.47343 7.75343 15.209 8.30845 12.2861 10.0891 11.2312 7.38135 18.081 17.21 numMergedOcc 0
27 mol 100 unq 4 iso 0 dist 7.47343 7.75343 15.209 8.76378 15.5385 4.44538 11.2312 7.38135 18.081 18.3027 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 6.18601 9.80862 9.35964 6.73586 5.13589 4.95807 10.4376 8.00003 16.6554 13.0074 numMergedOcc 0
29 mol 119 unq 1 iso 0 dist 6.18601 8.43904 10.3457 6.73586 5.13589 7.39626 10.4376 8.00003 16.109 13.0074 numMergedOcc 0
30 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 8.70296 14.2045 9.93183 13.7237 9.90168 11.4282 18.6956 numMergedOcc 0
31 mol 131 unq 1 iso 0 dist 6.85062 6.91348 6.19596 9.25558 5.09131 5.90177 13.7237 9.90168 11.4282 13.2952 numMergedOcc 0
32 mol 131 unq 2 iso 0 dist 6.85062 9.51418 6.6499 8.70296 14.2045 16.5048 13.7237 9.90168 16.3398 18.6956 numMergedOcc 0
33 mol 131 unq 3 iso 0 dist 6.85062 9.51418 6.6499 9.25558 5.09131 5.70899 13.7237 9.90168 16.3398 13.2952 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 7.80532 7.41674 14.1488 5.71679 7.69991 8.73604 6.40575 numMergedOcc 0
35 mol 134 unq 1 iso 0 dist 6.49416 8.6355 5.41704 7.80532 9.87376 14.1488 5.71679 6.23142 8.73604 6.40575 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 7.44554 6.27641 7.29758 9.4013 5.71511 5.05683 5.4555 9.44367 5.81122 8.37434 numMergedOcc 0
37 mol 156 unq 1 iso 0 dist 7.44554 6.27641 7.29758 9.4013 5.71511 5.05683 11.9952 9.47433 13.7525 14.1424 numMergedOcc 0
38 mol 156 unq 2 iso 0 dist 7.44554 9.36805 6.29785 9.44367 5.4555 10.143 5.71511 9.4013 10.735 8.37434 numMergedOcc 0
39 mol 156 unq 3 iso 0 dist 7.44554 9.36805 6.29785 9.47433 11.9952 10.0003 5.71511 9.4013 10.735 14.1424 numMergedOcc 0
40 mol 156 unq 4 iso 0 dist 8.94056 6.27641 8.67156 9.4013 6.13574 5.05683 5.4555 7.90267 5.81122 8.37434 numMergedOcc 0
41 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 8.90963 8.91338 4.43678 6.6251 6.2479 9.06217 12.1629 numMergedOcc 0
42 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 8.90963 8.91338 6.03415 6.6251 6.2479 7.13252 12.1629 numMergedOcc 0
43 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 8.90963 9.81073 4.43678 5.6044 9.72611 10.3766 10.515 numMergedOcc 0
44 mol 181 unq 3 iso 0 dist 5.98885 6.94688 5.86342 8.90963 9.81073 4.43678 6.6251 7.99195 9.06217 12.1629 numMergedOcc 0
45 mol 181 unq 4 iso 0 dist 5.98885 6.71012 9.14057 8.90963 9.81073 6.03415 5.6044 9.72611 10.7723 10.515 numMergedOcc 0
46 mol 181 unq 5 iso 0 dist 5.98885 6.71012 9.14057 8.90963 9.81073 6.03415 6.6251 7.99195 7.13252 12.1629 numMergedOcc 0
47 mol 181 unq 6 iso 0 dist 5.98885 7.20046 5.4601 9.72611 5.6044 9.87435 9.81073 8.90963 13.6646 10.515 numMergedOcc 0
48 mol 181 unq 7 iso 0 dist 5.98885 7.20046 5.4601 7.99195 6.6251 4.69841 9.81073 8.90963 13.6646 12.1629 numMergedOcc 0
49 mol 181 unq 8 iso 0 dist 5.98885 7.13543 10.0524 9.72611 5.6044 14.6648 9.81073 8.90963 15.9219 10.515 numMergedOcc 0
50 mol 181 unq 9 iso 0 dist 5.98885 7.13543 10.0524 7.99195 6.6251 7.23063 9.81073 8.90963 15.9219 12.1629 numMergedOcc 0
51 mol 181 unq 10 iso 0 dist 7.81386 4.93785 6.7991 9.39829 7.20191 7.30555 7.77758 5.94469 7.05653 11.8933 numMergedOcc 0
52 mol 181 unq 11 iso 0 dist 7.81386 7.98142 9.53462 5.94469 7.77758 8.93991 7.20191 9.39829 13.5221 11.8933 numMergedOcc 0
53 mol 181 unq 12 iso 0 dist 7.81386 7.37327 11.1462 5.94469 7.77758 5.35588 7.20191 9.39829 14.5372 11.8933 numMergedOcc 0
54 mol 181 unq 13 iso 0 dist 7.63312 6.93764 4.80231 5.9176 5.63555 5.60306 12.5387 5.94469 10.6207 10.3104 numMergedOcc 0
55 mol 181 unq 14 iso 0 dist 7.63312 6.93764 4.80231 6.41453 7.20191 6.05477 12.5387 5.94469 10.6207 11.8933 numMergedOcc 0
56 mol 181 unq 15 iso 0 dist 7.63312 7.98142 9.60512 5.94469 12.5387 8.93991 5.63555 5.9176 5.97685 10.3104 numMergedOcc 0
57 mol 181 unq 16 iso 0 dist 7.63312 7.98142 9.60512 5.94469 12.5387 8.93991 7.20191 6.41453 13.5221 11.8933 numMergedOcc 0
58 mol 181 unq 17 iso 0 dist 7.63312 7.37327 13.3389 5.94469 12.5387 5.35588 5.63555 5.9176 8.9289 10.3104 numMergedOcc 0
59 mol 181 unq 18 iso 0 dist 7.63312 7.37327 13.3389 5.94469 12.5387 5.35588 7.20191 6.41453 14.5372 11.8933 numMergedOcc 0
60 mol 204 unq 0 iso 0 dist 8.51516 5.90931 12.9483 9.68728 10.8573 11.145 5.86489 7.32294 11.641 10.2072 numMergedOcc 0
61 mol 205 unq 0 iso 0 dist 7.26832 9.19704 6.23291 6.03688 12.4957 14.6029 10.3603 5.44002 10.5073 15.3509 numMergedOcc 0
62 mol 264 unq 0 iso 0 dist 6.24356 9.0012 5.12409 7.16853 5.00209 9.76317 7.52936 5.93616 5.91213 10.3854 numMergedOcc 0
63 mol 264 unq 1 iso 0 dist 6.24356 9.5784 9.67998 7.16853 5.00209 13.9064 7.52936 5.93616 7.34094 10.3854 numMergedOcc 0
