0 mol 7 unq 0 iso 0 dist 7.11539 5.37308 6.02702 6.44558 6.14469 6.55304 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.11539 9.17482 8.72114 6.44558 6.14469 6.34041 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.37378 6.78983 5.89412 7.11548 6.03257 9.75966 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 8.37378 9.50843 7.07399 7.11548 6.03257 4.39605 numMergedOcc 0
4 mol 15 unq 2 iso 0 dist 8.3794 6.3431 6.42748 7.49229 6.03257 10.1154 numMergedOcc 0
5 mol 15 unq 3 iso 0 dist 8.3794 9.85033 7.48342 7.49229 6.03257 4.29582 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.12701 5.96173 5.73743 5.06999 8.66165 10.1024 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.67564 4.04716 5.78706 12.9271 7.14031 11.3905 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.67564 8.87226 7.23884 12.9271 7.14031 14.2646 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 7.67564 13.0429 5.59328 12.9271 7.14031 4.67519 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 7.67564 13.699 7.5242 12.9271 7.14031 10.4027 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 8.60103 4.75433 5.78706 12.2431 7.14031 11.3905 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 8.60103 10.9049 7.23884 12.2431 7.14031 14.2646 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 8.60103 11.5098 5.59328 12.2431 7.14031 4.67519 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 8.60103 15.8069 7.5242 12.2431 7.14031 10.4027 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 8.74577 11.9415 9.08382 6.58625 6.33431 6.40824 numMergedOcc 0
16 mol 125 unq 1 iso 0 dist 8.74577 15.2717 9.3778 6.58625 6.33431 9.20086 numMergedOcc 0
17 mol 125 unq 2 iso 0 dist 8.74577 9.71964 7.47069 6.58625 6.33431 9.44075 numMergedOcc 0
18 mol 125 unq 3 iso 0 dist 9.94322 13.0245 8.76789 6.67445 6.11502 6.40824 numMergedOcc 0
19 mol 125 unq 4 iso 0 dist 9.94322 15.5695 7.73435 6.67445 6.11502 9.20086 numMergedOcc 0
20 mol 125 unq 5 iso 0 dist 9.7728 13.0245 9.08382 6.67445 6.33431 6.40824 numMergedOcc 0
21 mol 125 unq 6 iso 0 dist 9.7728 15.5695 9.3778 6.67445 6.33431 9.20086 numMergedOcc 0
22 mol 125 unq 7 iso 0 dist 9.7728 13.3502 7.47069 6.67445 6.33431 9.44075 numMergedOcc 0
23 mol 125 unq 8 iso 0 dist 8.35871 5.14447 8.76789 8.12341 6.11502 6.40824 numMergedOcc 0
24 mol 125 unq 9 iso 0 dist 8.35871 6.10523 7.73435 8.12341 6.11502 9.20086 numMergedOcc 0
25 mol 125 unq 10 iso 0 dist 6.75122 5.14447 9.08382 8.12341 6.33431 6.40824 numMergedOcc 0
26 mol 125 unq 11 iso 0 dist 6.75122 6.10523 9.3778 8.12341 6.33431 9.20086 numMergedOcc 0
27 mol 125 unq 12 iso 0 dist 6.75122 5.87414 7.47069 8.12341 6.33431 9.44075 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 6.52844 6.13737 6.28565 7.72162 9.73158 10.7293 numMergedOcc 0
29 mol 129 unq 1 iso 0 dist 6.52844 6.13737 6.28565 7.95267 7.59327 7.29399 numMergedOcc 0
30 mol 141 unq 0 iso 0 dist 5.66405 13.0477 9.97343 11.3783 9.10042 9.74444 numMergedOcc 0
31 mol 141 unq 1 iso 0 dist 5.66405 13.0477 9.97343 11.1002 9.75059 6.91919 numMergedOcc 0
32 mol 141 unq 2 iso 0 dist 5.66405 13.0477 9.97343 5.63251 6.83404 10.1432 numMergedOcc 0
33 mol 141 unq 3 iso 0 dist 5.66405 6.64386 9.70413 11.3783 9.10042 10.3716 numMergedOcc 0
34 mol 141 unq 4 iso 0 dist 5.66405 6.64386 9.70413 11.1002 9.75059 7.87881 numMergedOcc 0
35 mol 141 unq 5 iso 0 dist 5.66405 6.64386 9.70413 5.63251 6.83404 7.27731 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 8.75305 10.6289 7.30357 5.6621 8.21184 5.81563 numMergedOcc 0
37 mol 156 unq 1 iso 0 dist 8.75305 10.6289 7.30357 6.65278 5.41575 5.52796 numMergedOcc 0
38 mol 156 unq 2 iso 0 dist 5.13522 10.6289 8.61587 5.6621 5.9976 5.81563 numMergedOcc 0
39 mol 156 unq 3 iso 0 dist 5.13522 10.6289 8.61587 6.65278 6.86566 5.52796 numMergedOcc 0
40 mol 162 unq 0 iso 0 dist 5.99212 5.00649 6.45896 6.27876 9.7361 4.38317 numMergedOcc 0
41 mol 171 unq 0 iso 0 dist 8.29782 4.97028 6.64834 4.71612 7.22518 6.45673 numMergedOcc 0
42 mol 171 unq 1 iso 0 dist 8.29782 4.97028 6.64834 5.66419 5.25109 4.78075 numMergedOcc 0
43 mol 171 unq 2 iso 0 dist 8.29782 7.69281 5.93786 4.71612 7.22518 5.48551 numMergedOcc 0
44 mol 171 unq 3 iso 0 dist 8.29782 7.69281 5.93786 5.66419 5.25109 7.9651 numMergedOcc 0
45 mol 171 unq 4 iso 0 dist 8.29782 12.3639 8.24693 4.71612 7.22518 8.05069 numMergedOcc 0
46 mol 171 unq 5 iso 0 dist 8.29782 12.3639 8.24693 5.66419 5.25109 12.6853 numMergedOcc 0
47 mol 171 unq 6 iso 0 dist 8.29782 9.82561 7.36698 4.71612 7.22518 11.2785 numMergedOcc 0
48 mol 171 unq 7 iso 0 dist 8.29782 9.82561 7.36698 5.66419 5.25109 5.90026 numMergedOcc 0
49 mol 171 unq 8 iso 0 dist 7.61144 10.307 8.1344 7.486 7.58499 5.48551 numMergedOcc 0
50 mol 171 unq 9 iso 0 dist 7.61144 10.307 8.1344 13.5731 8.21618 7.9651 numMergedOcc 0
51 mol 171 unq 10 iso 0 dist 7.61144 5.60928 6.71356 7.486 7.58499 8.05069 numMergedOcc 0
52 mol 171 unq 11 iso 0 dist 7.61144 5.60928 6.71356 13.5731 8.21618 12.6853 numMergedOcc 0
53 mol 181 unq 0 iso 0 dist 8.90567 5.4328 6.59025 8.96857 8.86197 7.81713 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 8.90567 5.4328 6.59025 6.03835 5.94379 7.16549 numMergedOcc 0
55 mol 181 unq 2 iso 0 dist 9.2933 5.32364 5.9176 5.10499 7.22883 6.29863 numMergedOcc 0
56 mol 181 unq 3 iso 0 dist 7.08557 5.38569 5.94469 7.314 9.92471 9.69409 numMergedOcc 0
57 mol 238 unq 0 iso 0 dist 6.80544 5.65008 8.69104 4.04422 5.92374 8.1195 numMergedOcc 0
58 mol 249 unq 0 iso 0 dist 9.58168 12.8314 5.48118 9.38829 5.9627 9.0676 numMergedOcc 0
59 mol 249 unq 1 iso 0 dist 9.58168 11.6796 7.25858 9.38829 5.9627 6.56117 numMergedOcc 0
60 mol 265 unq 0 iso 0 dist 9.68583 12.9199 6.71375 4.15342 8.984 10.0732 numMergedOcc 0
61 mol 271 unq 0 iso 0 dist 6.85471 5.49799 9.70714 4.17949 5.92274 8.66946 numMergedOcc 0
62 mol 273 unq 0 iso 0 dist 9.16554 4.77695 8.83865 11.4694 7.16346 12.0136 numMergedOcc 0
63 mol 273 unq 1 iso 0 dist 9.16554 10.3543 9.18157 11.4694 7.16346 12.1851 numMergedOcc 0
64 mol 273 unq 2 iso 0 dist 9.65597 15.0014 8.83865 4.73332 7.16346 12.0136 numMergedOcc 0
65 mol 273 unq 3 iso 0 dist 9.65597 16.3813 9.18157 4.73332 7.16346 12.1851 numMergedOcc 0
