0 mol 0 unq 0 iso 0 dist 9.19007 6.91778 14.0232 6.0225 6.94943 12.8524 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 7.12508 8.15894 11.2901 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.88043 5.99972 7.25346 12.8323 8.15894 14.8356 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.80762 5.99972 10.0658 12.8323 8.45544 14.8356 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.78006 9.62394 7.28672 5.84314 7.05919 10.9352 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.72502 8.60554 6.99746 5.11636 8.24948 5.80953 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.72502 8.44664 7.6844 5.11636 8.24948 12.8213 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 6.72502 9.44691 7.05541 5.11636 8.24948 11.7489 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 7.73394 6.73167 6.07276 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 8.6385 7.36856 5.30297 7.42064 7.40948 10.6018 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 8.64015 8.08618 5.9995 6.08003 7.17026 9.87767 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 6.61823 8.91313 14.4996 5.31547 6.98037 12.273 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 6.61823 8.91313 14.4996 4.3481 6.9223 12.7637 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 6.61823 8.16392 6.90324 5.31547 6.98037 10.9647 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 6.61823 8.16392 6.90324 4.3481 6.9223 11.1106 numMergedOcc 0
15 mol 92 unq 4 iso 0 dist 6.49956 8.91313 12.0757 4.3481 7.0561 12.7637 numMergedOcc 0
16 mol 92 unq 5 iso 0 dist 6.49956 8.16392 7.64508 4.3481 7.0561 11.1106 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 7.26086 6.65501 11.2092 3.9764 8.75597 4.62494 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 12.6005 6.78801 12.7349 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 12.6005 6.78801 17.5196 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 13.4066 6.77921 6.65731 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 7.25673 7.78652 6.60479 4.78563 8.612 5.06564 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 7.25673 8.91301 7.54337 4.78563 8.612 7.5373 numMergedOcc 0
23 mol 159 unq 0 iso 0 dist 7.25742 9.17787 10.3427 4.48323 6.07821 12.5346 numMergedOcc 0
24 mol 159 unq 1 iso 0 dist 7.25742 8.4858 7.97232 4.48323 6.07821 9.35202 numMergedOcc 0
25 mol 170 unq 0 iso 0 dist 8.15099 6.35982 7.29587 4.78249 5.13268 6.47164 numMergedOcc 0
26 mol 170 unq 1 iso 0 dist 8.15099 7.51126 8.73585 4.78249 5.13268 9.65126 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 11.8244 9.13027 9.19622 numMergedOcc 0
28 mol 171 unq 1 iso 0 dist 7.71426 8.1344 5.90358 11.8244 9.13027 11.6352 numMergedOcc 0
29 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 13.9189 9.13027 9.19622 numMergedOcc 0
30 mol 171 unq 3 iso 0 dist 5.10618 6.71356 5.90358 13.9189 9.13027 11.6352 numMergedOcc 0
31 mol 188 unq 0 iso 0 dist 8.57261 7.14503 5.0782 9.71636 7.79115 8.66624 numMergedOcc 0
32 mol 188 unq 1 iso 0 dist 8.57261 8.10214 5.87427 9.71636 7.79115 11.506 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 10.0756 5.53324 4.19371 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 11.8031 6.72182 11.7017 numMergedOcc 0
35 mol 194 unq 2 iso 0 dist 8.83356 8.29382 12.361 10.463 5.53324 15.7666 numMergedOcc 0
36 mol 194 unq 3 iso 0 dist 8.83356 8.29382 12.361 4.66791 6.72182 11.2491 numMergedOcc 0
37 mol 194 unq 4 iso 0 dist 8.83356 6.72379 7.50057 10.463 5.53324 9.64441 numMergedOcc 0
38 mol 194 unq 5 iso 0 dist 8.83356 6.72379 7.50057 4.66791 6.72182 9.00322 numMergedOcc 0
39 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 5.41635 6.34234 6.22742 numMergedOcc 0
40 mol 195 unq 1 iso 0 dist 6.60567 7.36683 6.0634 11.9954 7.87972 13.3723 numMergedOcc 0
41 mol 195 unq 2 iso 0 dist 6.60567 6.95086 6.74112 5.41635 6.34234 10.8593 numMergedOcc 0
42 mol 195 unq 3 iso 0 dist 6.60567 6.95086 6.74112 11.9954 7.87972 11.9372 numMergedOcc 0
43 mol 195 unq 4 iso 0 dist 7.62942 9.26504 6.0634 6.04871 6.34234 6.22742 numMergedOcc 0
44 mol 195 unq 5 iso 0 dist 7.62942 9.26504 6.0634 8.04534 7.87972 13.3723 numMergedOcc 0
45 mol 198 unq 0 iso 0 dist 8.10985 6.34616 9.86517 9.76488 8.8864 15.3535 numMergedOcc 0
46 mol 198 unq 1 iso 0 dist 8.10985 6.34616 9.86517 6.0599 8.12201 11.5067 numMergedOcc 0
47 mol 198 unq 2 iso 0 dist 8.10985 6.34616 9.86517 6.05382 5.45162 10.7287 numMergedOcc 0
48 mol 212 unq 0 iso 0 dist 6.29767 9.74144 9.75095 3.9436 5.50658 12.0526 numMergedOcc 0
49 mol 212 unq 1 iso 0 dist 6.29767 8.69988 12.8059 3.9436 5.50658 9.10288 numMergedOcc 0
50 mol 212 unq 2 iso 0 dist 6.29767 8.55903 10.7914 3.9436 5.50658 6.19798 numMergedOcc 0
51 mol 212 unq 3 iso 0 dist 6.29767 7.15603 9.63281 3.9436 5.50658 9.32123 numMergedOcc 0
52 mol 212 unq 4 iso 0 dist 8.74585 9.74144 15.1535 3.9436 9.22129 12.0526 numMergedOcc 0
53 mol 212 unq 5 iso 0 dist 8.74585 8.69988 4.21442 3.9436 9.22129 9.10288 numMergedOcc 0
54 mol 212 unq 6 iso 0 dist 8.74585 8.55903 6.69225 3.9436 9.22129 6.19798 numMergedOcc 0
55 mol 212 unq 7 iso 0 dist 8.74585 7.15603 10.1399 3.9436 9.22129 9.32123 numMergedOcc 0
56 mol 224 unq 0 iso 0 dist 8.37597 9.51597 10.1672 5.13732 8.54702 10.7847 numMergedOcc 0
57 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 5.0317 9.43618 9.18728 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 8.03442 5.41321 4.59123 5.0317 9.43618 8.91971 numMergedOcc 0
59 mol 238 unq 0 iso 0 dist 5.52379 7.10685 5.83386 4.48415 6.53286 10.6116 numMergedOcc 0
60 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 13.5923 8.63072 20.2094 numMergedOcc 0
61 mol 278 unq 1 iso 0 dist 7.67245 6.62841 13.537 10.0918 7.59696 16.5137 numMergedOcc 0
62 mol 279 unq 0 iso 0 dist 6.43341 9.09855 5.89415 9.40912 5.8304 11.458 numMergedOcc 0
63 mol 279 unq 1 iso 0 dist 6.43341 9.09855 5.89415 4.14939 7.37478 8.98854 numMergedOcc 0
