0 mol 1 unq 0 iso 0 dist 7.64327 4.34307 5.74199 7.80436 8.69605 10.4572 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.28595 5.03955 5.74199 11.681 8.69605 10.4572 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 9.31967 7.31135 5.74199 15.5375 8.69605 10.4572 numMergedOcc 0
3 mol 5 unq 0 iso 0 dist 9.22115 8.4301 7.15734 10.5355 8.88048 13.8842 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 7.86029 12.3846 9.25986 4.61408 7.65802 9.16636 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 6.27017 7.95967 9.86958 5.04832 8.85416 5.88036 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 8.01351 7.97927 5.78962 4.4056 8.91354 7.47242 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 8.10965 4.76694 7.81042 12.706 8.078 8.96379 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 8.10965 4.76694 7.81042 3.9634 6.56481 5.73608 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 7.28273 7.26955 7.07421 9.054 7.6453 5.06265 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 5.52837 9.98904 8.15549 4.8602 9.39389 10.8474 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.72732 10.5918 5.12189 8.09812 9.2759 10.8516 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 8.72732 5.48547 7.50126 8.09812 9.2759 5.35551 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 8.72216 4.56374 8.05043 4.46614 7.60956 4.8476 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 8.72216 4.56374 8.05043 4.74205 9.9171 8.53976 numMergedOcc 0
15 mol 165 unq 0 iso 0 dist 8.19939 13.729 8.2197 7.20315 7.21397 10.5947 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 7.04009 6.20034 9.82329 4.91302 7.20545 9.97915 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 9.6562 4.69919 7.94469 5.46954 8.84987 6.08215 numMergedOcc 0
18 mol 203 unq 0 iso 0 dist 9.44579 9.73417 7.9591 8.95399 6.84619 4.9404 numMergedOcc 0
19 mol 217 unq 0 iso 0 dist 8.29482 4.89824 6.01666 5.1774 7.60302 5.16489 numMergedOcc 0
20 mol 223 unq 0 iso 0 dist 9.10041 15.4738 9.29204 10.9692 6.97426 4.73988 numMergedOcc 0
21 mol 223 unq 1 iso 0 dist 9.10041 15.4738 9.29204 10.2498 8.87456 8.36102 numMergedOcc 0
22 mol 223 unq 2 iso 0 dist 9.10041 14.4135 9.14789 10.9692 6.97426 4.78255 numMergedOcc 0
23 mol 223 unq 3 iso 0 dist 9.10041 14.4135 9.14789 10.2498 8.87456 5.43913 numMergedOcc 0
24 mol 223 unq 4 iso 0 dist 9.10041 6.59509 7.80764 10.9692 6.97426 12.6805 numMergedOcc 0
25 mol 223 unq 5 iso 0 dist 9.10041 6.59509 7.80764 10.2498 8.87456 13.9763 numMergedOcc 0
26 mol 223 unq 6 iso 0 dist 9.10041 11.687 5.75896 10.9692 6.97426 10.6184 numMergedOcc 0
27 mol 223 unq 7 iso 0 dist 9.10041 11.687 5.75896 10.2498 8.87456 13.8469 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 9.19506 11.0413 7.58833 7.85269 3.67935 4.88298 numMergedOcc 0
29 mol 249 unq 1 iso 0 dist 9.19506 11.0413 7.58833 4.34115 8.00386 10.9665 numMergedOcc 0
30 mol 249 unq 2 iso 0 dist 9.19506 6.40966 9.04715 7.85269 3.67935 5.75331 numMergedOcc 0
31 mol 249 unq 3 iso 0 dist 9.19506 6.40966 9.04715 4.34115 8.00386 5.52082 numMergedOcc 0
32 mol 255 unq 0 iso 0 dist 5.84157 9.69849 9.72048 4.52659 7.57779 9.92518 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 8.88518 3.7042 6.08181 14.5913 8.10903 10.8957 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 8.88518 3.7042 6.08181 14.3641 7.25618 11.0025 numMergedOcc 0
35 mol 258 unq 2 iso 0 dist 8.88518 13.1596 7.70189 14.5913 8.10903 5.27718 numMergedOcc 0
36 mol 258 unq 3 iso 0 dist 8.88518 13.1596 7.70189 14.3641 7.25618 9.46467 numMergedOcc 0
37 mol 266 unq 0 iso 0 dist 9.4961 10.3186 8.12204 5.53565 9.39714 5.91091 numMergedOcc 0
38 mol 266 unq 1 iso 0 dist 7.07099 14.7313 9.63694 4.19938 6.57444 13.1376 numMergedOcc 0
39 mol 266 unq 2 iso 0 dist 7.07099 14.7313 9.63694 8.95939 7.9555 14.6225 numMergedOcc 0
40 mol 266 unq 3 iso 0 dist 7.07099 7.14057 6.58277 4.19938 6.57444 5.91091 numMergedOcc 0
41 mol 266 unq 4 iso 0 dist 7.07099 7.14057 6.58277 8.95939 7.9555 3.93133 numMergedOcc 0
42 mol 266 unq 5 iso 0 dist 8.3978 7.14057 8.12204 4.19938 9.39714 5.91091 numMergedOcc 0
43 mol 280 unq 0 iso 0 dist 9.1629 5.34014 9.43447 5.26123 8.83076 9.88995 numMergedOcc 0
44 mol 280 unq 1 iso 0 dist 7.38699 5.09741 9.43447 6.22294 8.83076 9.88995 numMergedOcc 0
45 mol 281 unq 0 iso 0 dist 9.13318 6.30922 6.7897 10.4623 6.58925 4.37855 numMergedOcc 0
46 mol 287 unq 0 iso 0 dist 9.04355 14.8194 8.0935 5.05806 6.96774 10.4601 numMergedOcc 0
47 mol 287 unq 1 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 9.04355 14.8194 8.0935 5.05806 6.96774 10.4601 numMergedOcc 0
49 mol 288 unq 1 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 numMergedOcc 0
50 mol 289 unq 0 iso 0 dist 9.04355 14.8194 8.0935 5.05806 6.96774 10.4601 numMergedOcc 0
51 mol 289 unq 1 iso 0 dist 9.04355 14.8194 8.0935 11.1974 7.14859 8.13485 numMergedOcc 0
