0 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 8.7083 14.6955 8.54034 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 9.88364 13.9632 9.85784 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 9.78753 15.2234 9.87996 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.72502 8.60554 6.99746 14.8647 13.0098 6.61696 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.72502 8.60554 6.99746 5.11636 8.24948 5.80953 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.72502 8.44664 7.6844 4.79736 11.2038 9.98592 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.72502 9.44691 7.05541 14.4081 13.5399 9.586 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 4.93188 6.73939 10.0715 15.4313 18.97 9.85784 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 4.93188 6.73939 10.0715 14.1829 18.1962 9.87996 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 6.90155 6.16347 11.0508 5.63212 12.3361 5.20109 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 6.6492 7.45383 11.7817 6.47509 12.8378 5.20109 numMergedOcc 0
11 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 7.73394 6.73167 6.07276 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 6.95017 12.4442 8.93769 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 7.26086 6.65501 11.2092 10.4782 12.2279 8.46823 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 7.26086 6.65501 11.2092 3.9764 8.75597 4.62494 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 5.34214 7.80523 10.8469 5.00433 9.78192 7.56755 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 8.03372 4.97175 4.53459 6.16616 13.4823 9.35533 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 6.76699 6.16242 9.34112 13.0405 11.9059 8.83732 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 13.4066 6.77921 6.65731 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 4.78563 13.1913 5.06564 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 8.41611 8.91301 15.0315 4.78563 13.1913 7.5373 numMergedOcc 0
21 mol 143 unq 2 iso 0 dist 7.63338 7.78652 11.5146 4.78563 10.6706 5.06564 numMergedOcc 0
22 mol 143 unq 3 iso 0 dist 7.63338 8.91301 13.434 4.78563 10.6706 7.5373 numMergedOcc 0
23 mol 143 unq 4 iso 0 dist 9.03707 7.78652 8.97873 4.78563 10.8457 5.06564 numMergedOcc 0
24 mol 143 unq 5 iso 0 dist 9.03707 8.91301 6.29542 4.78563 10.8457 7.5373 numMergedOcc 0
25 mol 143 unq 6 iso 0 dist 7.25673 7.78652 6.60479 4.78563 8.612 5.06564 numMergedOcc 0
26 mol 143 unq 7 iso 0 dist 7.25673 8.91301 7.54337 4.78563 8.612 7.5373 numMergedOcc 0
27 mol 159 unq 0 iso 0 dist 7.25742 8.4858 7.97232 4.48323 6.07821 9.35202 numMergedOcc 0
28 mol 170 unq 0 iso 0 dist 8.15099 6.35982 7.29587 4.78249 5.13268 6.47164 numMergedOcc 0
29 mol 170 unq 1 iso 0 dist 8.15099 7.51126 8.73585 4.78249 5.13268 9.65126 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 9.35703 11.1022 9.34834 numMergedOcc 0
31 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 9.14311 10.6118 5.74846 numMergedOcc 0
32 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 14.4375 11.1022 9.34834 numMergedOcc 0
33 mol 171 unq 3 iso 0 dist 5.10618 8.24693 6.29877 13.6262 10.6118 5.74846 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 14.106 10.5765 9.99396 numMergedOcc 0
35 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 10.8286 14.6369 9.99396 numMergedOcc 0
36 mol 188 unq 0 iso 0 dist 8.57261 7.14503 5.0782 9.71636 7.79115 8.66624 numMergedOcc 0
37 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 10.0756 5.53324 4.19371 numMergedOcc 0
38 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 16.4082 11.4466 9.71015 numMergedOcc 0
39 mol 194 unq 2 iso 0 dist 8.83356 8.29382 12.361 5.97754 9.996 8.64056 numMergedOcc 0
40 mol 194 unq 3 iso 0 dist 8.83356 6.72379 7.50057 4.66791 6.72182 9.00322 numMergedOcc 0
41 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 5.41635 6.34234 6.22742 numMergedOcc 0
42 mol 195 unq 1 iso 0 dist 7.62942 9.26504 6.0634 6.04871 6.34234 6.22742 numMergedOcc 0
43 mol 212 unq 0 iso 0 dist 6.29767 8.69988 12.8059 3.9436 5.50658 9.10288 numMergedOcc 0
44 mol 212 unq 1 iso 0 dist 6.29767 8.55903 10.7914 3.9436 5.50658 6.19798 numMergedOcc 0
45 mol 212 unq 2 iso 0 dist 8.74585 8.69988 4.21442 3.9436 9.22129 9.10288 numMergedOcc 0
46 mol 212 unq 3 iso 0 dist 8.74585 8.55903 6.69225 3.9436 9.22129 6.19798 numMergedOcc 0
47 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 5.0317 9.43618 9.18728 numMergedOcc 0
48 mol 227 unq 1 iso 0 dist 8.03442 5.41321 4.59123 5.0317 9.43618 8.91971 numMergedOcc 0
49 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 5.42461 10.7452 6.59036 numMergedOcc 0
50 mol 234 unq 0 iso 0 dist 9.007 7.32499 5.76537 13.1872 10.0117 7.77911 numMergedOcc 0
51 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 13.089 11.0265 7.39085 numMergedOcc 0
52 mol 279 unq 0 iso 0 dist 6.43341 9.09855 5.89415 4.14939 7.37478 8.98854 numMergedOcc 0
