0 mol 7 unq 0 iso 0 dist 7.38748 6.22892 5.0893 5.13744 8.77133 6.36911 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.68949 6.92865 8.33226 6.88402 8.70858 8.99126 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.75001 7.84393 12.48 6.31174 14.362 8.73972 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.69637 6.85331 9.1927 8.91397 14.4209 9.75144 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 5.52834 8.52254 4.38082 6.79455 6.51963 7.41857 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 4.16088 12.851 8.09058 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 12.9814 20.358 8.68586 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 5.66803 5.54343 5.9853 5.68492 5.1488 8.68586 numMergedOcc 0
8 mol 64 unq 2 iso 0 dist 8.85416 9.99634 6.43864 8.21081 7.77991 9.80142 numMergedOcc 0
9 mol 64 unq 3 iso 0 dist 8.85416 9.99634 6.43864 11.6323 5.1488 9.54144 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 8.70964 8.24121 6.57301 6.51655 11.837 7.04352 numMergedOcc 0
11 mol 69 unq 1 iso 0 dist 8.70964 8.24121 6.57301 15.9496 10.4043 8.1114 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 13.1044 6.96647 8.70133 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 13.8036 16.993 9.49449 numMergedOcc 0
14 mol 87 unq 0 iso 0 dist 9.90256 5.26938 5.30415 7.62644 9.53368 7.51358 numMergedOcc 0
15 mol 87 unq 1 iso 0 dist 9.90256 5.26938 5.30415 10.8096 6.54532 8.93296 numMergedOcc 0
16 mol 87 unq 2 iso 0 dist 9.90256 8.91602 11.2095 7.62644 9.53368 8.32298 numMergedOcc 0
17 mol 87 unq 3 iso 0 dist 7.57471 6.8014 5.30415 5.5768 9.53368 7.51358 numMergedOcc 0
18 mol 87 unq 4 iso 0 dist 7.57471 6.8014 5.30415 4.56692 6.54532 8.93296 numMergedOcc 0
19 mol 87 unq 5 iso 0 dist 5.62336 9.1329 5.507 11.1364 11.0056 7.51358 numMergedOcc 0
20 mol 87 unq 6 iso 0 dist 5.62336 9.1329 5.507 16.0648 14.1892 8.93296 numMergedOcc 0
21 mol 87 unq 7 iso 0 dist 5.62336 9.03114 7.26523 11.1364 11.0056 8.32298 numMergedOcc 0
22 mol 87 unq 8 iso 0 dist 5.63748 5.26938 5.507 7.62644 11.0056 7.51358 numMergedOcc 0
23 mol 87 unq 9 iso 0 dist 5.63748 5.26938 5.507 10.8096 14.1892 8.93296 numMergedOcc 0
24 mol 87 unq 10 iso 0 dist 5.63748 8.91602 7.26523 7.62644 11.0056 8.32298 numMergedOcc 0
25 mol 114 unq 0 iso 0 dist 6.54778 5.97879 5.0333 5.84883 6.06039 6.73814 numMergedOcc 0
26 mol 124 unq 0 iso 0 dist 7.18976 7.23052 5.1738 10.5562 11.8954 6.83051 numMergedOcc 0
27 mol 124 unq 1 iso 0 dist 7.18976 7.23052 5.1738 12.5603 14.1076 9.28376 numMergedOcc 0
28 mol 127 unq 0 iso 0 dist 5.83719 8.62711 11.2447 13.376 15.4752 9.81878 numMergedOcc 0
29 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 10.343 10.501 6.03703 numMergedOcc 0
30 mol 132 unq 1 iso 0 dist 6.94745 9.43748 4.50065 10.343 10.501 7.61505 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 10.2578 13.8845 9.8589 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 8.92801 9.63295 9.40823 10.602 13.8176 6.93764 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 9.40718 9.63295 5.32364 10.602 9.23089 6.93764 numMergedOcc 0
34 mol 189 unq 0 iso 0 dist 6.38294 8.57361 6.35993 8.33972 10.5796 6.50241 numMergedOcc 0
35 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 13.377 20.2964 6.97182 numMergedOcc 0
36 mol 214 unq 1 iso 0 dist 7.82201 9.40003 17.1162 9.36638 16.417 6.1175 numMergedOcc 0
37 mol 220 unq 0 iso 0 dist 9.89039 8.9077 13.6952 10.4277 18.0435 6.84247 numMergedOcc 0
38 mol 220 unq 1 iso 0 dist 9.89039 8.9077 13.6952 12.6281 17.3246 6.99002 numMergedOcc 0
39 mol 220 unq 2 iso 0 dist 8.57174 8.9077 13.8822 10.4277 15.2861 6.84247 numMergedOcc 0
40 mol 220 unq 3 iso 0 dist 8.57174 8.9077 13.8822 12.6281 13.108 6.99002 numMergedOcc 0
41 mol 236 unq 0 iso 0 dist 8.63249 9.97357 13.6195 11.4732 10.3387 7.17676 numMergedOcc 0
42 mol 236 unq 1 iso 0 dist 8.63249 9.97357 13.6195 14.1057 14.2759 6.68463 numMergedOcc 0
43 mol 236 unq 2 iso 0 dist 8.63249 6.36941 7.45579 11.4732 10.3387 5.34718 numMergedOcc 0
44 mol 240 unq 0 iso 0 dist 7.19218 6.83069 5.36005 10.6805 10.4148 6.15305 numMergedOcc 0
45 mol 240 unq 1 iso 0 dist 7.19218 6.83069 5.36005 5.79056 11.1255 8.0951 numMergedOcc 0
46 mol 240 unq 2 iso 0 dist 7.19218 9.30995 4.4564 10.6805 10.4148 7.03489 numMergedOcc 0
47 mol 256 unq 0 iso 0 dist 6.45473 7.54586 4.99605 5.34142 9.45135 8.09363 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 8.10903 9.67877 13.3533 13.6436 18.9608 6.49982 numMergedOcc 0
49 mol 258 unq 1 iso 0 dist 7.25618 9.67877 15.0574 13.6436 20.2888 6.49982 numMergedOcc 0
50 mol 284 unq 0 iso 0 dist 7.66585 7.32482 5.44847 9.91995 13.4089 8.41504 numMergedOcc 0
51 mol 284 unq 1 iso 0 dist 7.74965 8.08993 4.76222 9.65436 11.9441 8.41504 numMergedOcc 0
52 mol 284 unq 2 iso 0 dist 7.74965 7.34344 13.4636 5.83318 12.5557 4.86729 numMergedOcc 0
