0 mol 24 unq 0 iso 0 dist 9.7649 17.7515 8.23075 10.5243 8.25818 13.5399 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.5268 14.2153 8.23075 10.2093 8.25818 13.5399 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.81662 5.80658 9.45756 3.8412 3.77542 9.26597 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 5.81662 5.80658 9.45756 6.17831 9.97314 4.60014 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.63792 8.18176 7.61521 8.58059 7.66068 10.5019 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.63792 8.18176 7.61521 14.7497 9.5043 13.3187 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 8.63792 8.18176 7.61521 14.3572 8.34132 10.3032 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 6.29267 4.98967 5.25027 6.02092 4.15789 3.83059 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.56288 7.72238 7.69926 7.14242 6.67137 6.35602 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.56288 7.72238 7.69926 15.2173 9.78707 13.5979 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 5.97559 7.72238 5.85237 9.52671 7.07839 3.88489 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 5.97559 7.72238 5.85237 8.62855 7.91193 5.78841 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 5.97559 7.72238 5.85237 5.86553 9.09711 7.33192 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 5.97559 7.72238 5.85237 7.14242 7.04244 6.35602 numMergedOcc 0
14 mol 85 unq 6 iso 0 dist 5.97559 7.72238 5.85237 15.2173 9.63449 13.5979 numMergedOcc 0
15 mol 85 unq 7 iso 0 dist 5.97559 14.2934 9.11768 9.52671 7.07839 9.22202 numMergedOcc 0
16 mol 85 unq 8 iso 0 dist 5.97559 14.2934 9.11768 5.86553 9.09711 15.5226 numMergedOcc 0
17 mol 85 unq 9 iso 0 dist 5.97559 14.2934 9.11768 7.14242 7.04244 10.5854 numMergedOcc 0
18 mol 85 unq 10 iso 0 dist 5.97559 14.2934 9.11768 15.2173 9.63449 10.0606 numMergedOcc 0
19 mol 85 unq 11 iso 0 dist 5.97559 14.2934 9.11768 8.62855 7.91193 12.2858 numMergedOcc 0
20 mol 85 unq 12 iso 0 dist 9.27814 13.4816 9.01812 11.9486 4.18248 5.76272 numMergedOcc 0
21 mol 111 unq 0 iso 0 dist 8.51084 4.41283 9.06601 7.42165 4.91212 6.34994 numMergedOcc 0
22 mol 111 unq 1 iso 0 dist 8.51084 4.41283 9.06601 7.93667 9.74162 8.26306 numMergedOcc 0
23 mol 111 unq 2 iso 0 dist 5.53271 4.41283 5.98809 7.42165 9.34782 6.34994 numMergedOcc 0
24 mol 120 unq 0 iso 0 dist 5.56598 5.6257 7.53694 8.24077 7.84207 3.824 numMergedOcc 0
25 mol 120 unq 1 iso 0 dist 5.56598 5.6257 7.53694 3.79384 8.56947 4.96885 numMergedOcc 0
26 mol 120 unq 2 iso 0 dist 5.39792 5.0256 7.53694 5.56137 7.84207 3.824 numMergedOcc 0
27 mol 120 unq 3 iso 0 dist 5.39792 5.0256 7.53694 6.80121 8.56947 4.96885 numMergedOcc 0
28 mol 120 unq 4 iso 0 dist 8.44206 5.0256 8.38358 10.0743 9.31385 9.4846 numMergedOcc 0
29 mol 120 unq 5 iso 0 dist 8.44206 5.0256 8.38358 5.56137 6.98791 3.824 numMergedOcc 0
30 mol 120 unq 6 iso 0 dist 7.00542 8.66137 7.53694 7.75617 7.84207 3.824 numMergedOcc 0
31 mol 120 unq 7 iso 0 dist 7.00542 8.66137 7.53694 10.6431 8.56947 4.96885 numMergedOcc 0
32 mol 120 unq 8 iso 0 dist 9.78884 8.66137 8.38358 10.2233 9.31385 9.4846 numMergedOcc 0
33 mol 120 unq 9 iso 0 dist 9.78884 8.66137 8.38358 7.75617 6.98791 3.824 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 4.55528 9.45062 9.52922 4.02402 5.10542 12.8006 numMergedOcc 0
35 mol 194 unq 1 iso 0 dist 4.42095 10.8182 9.38984 3.83542 5.18325 7.3365 numMergedOcc 0
36 mol 194 unq 2 iso 0 dist 4.42095 10.8182 9.38984 4.02402 4.68722 11.6641 numMergedOcc 0
37 mol 194 unq 3 iso 0 dist 4.42095 10.0354 9.91118 3.83542 5.18325 6.3514 numMergedOcc 0
38 mol 194 unq 4 iso 0 dist 4.42095 10.0354 9.91118 4.02402 4.68722 10.0534 numMergedOcc 0
39 mol 194 unq 5 iso 0 dist 6.88386 10.6236 9.52922 8.31549 5.10542 12.8006 numMergedOcc 0
40 mol 194 unq 6 iso 0 dist 4.63898 7.58286 9.38984 8.31549 4.68722 11.6641 numMergedOcc 0
41 mol 194 unq 7 iso 0 dist 4.63898 7.58286 9.38984 4.98625 5.18325 7.3365 numMergedOcc 0
42 mol 194 unq 8 iso 0 dist 4.63898 9.53373 9.91118 8.31549 4.68722 10.0534 numMergedOcc 0
43 mol 194 unq 9 iso 0 dist 4.63898 9.53373 9.91118 4.98625 5.18325 6.3514 numMergedOcc 0
44 mol 194 unq 10 iso 0 dist 9.53641 10.4127 9.38984 7.40457 4.68722 11.6641 numMergedOcc 0
45 mol 194 unq 11 iso 0 dist 9.53641 10.4127 9.38984 8.48051 5.18325 7.3365 numMergedOcc 0
46 mol 194 unq 12 iso 0 dist 9.53641 7.1015 9.91118 7.40457 4.68722 10.0534 numMergedOcc 0
47 mol 194 unq 13 iso 0 dist 9.53641 7.1015 9.91118 8.48051 5.18325 6.3514 numMergedOcc 0
48 mol 199 unq 0 iso 0 dist 9.72197 11.9773 8.72831 5.47515 9.64363 9.00996 numMergedOcc 0
49 mol 225 unq 0 iso 0 dist 5.65735 4.41663 8.40074 6.46348 9.54529 8.68462 numMergedOcc 0
50 mol 266 unq 0 iso 0 dist 7.43884 9.65978 9.29666 11.4637 7.80711 14.5358 numMergedOcc 0
51 mol 266 unq 1 iso 0 dist 7.43884 9.65978 9.29666 12.3524 9.9965 18.7228 numMergedOcc 0
52 mol 281 unq 0 iso 0 dist 9.05453 4.89583 5.50053 16.2801 7.90368 12.8596 numMergedOcc 0
53 mol 281 unq 1 iso 0 dist 9.05453 4.89583 5.50053 9.81081 6.69267 5.19196 numMergedOcc 0
54 mol 287 unq 0 iso 0 dist 9.14217 7.17634 5.30118 9.84883 4.68668 3.65199 numMergedOcc 0
55 mol 287 unq 1 iso 0 dist 9.14217 7.78985 8.98698 9.84883 4.68668 5.70614 numMergedOcc 0
56 mol 288 unq 0 iso 0 dist 9.14217 7.17634 5.30118 9.84883 4.68668 3.65199 numMergedOcc 0
57 mol 288 unq 1 iso 0 dist 9.14217 7.78985 8.98698 9.84883 4.68668 5.70614 numMergedOcc 0
58 mol 289 unq 0 iso 0 dist 9.14217 7.17634 5.30118 9.84883 4.68668 3.65199 numMergedOcc 0
59 mol 289 unq 1 iso 0 dist 9.14217 7.78985 8.98698 9.84883 4.68668 5.70614 numMergedOcc 0
