0 mol 7 unq 0 iso 0 dist 5.51421 4.60206 5.99972 3.52338 7.78327 3.54153 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.51397 4.27486 9.47063 12.8646 8.14998 13.4984 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 10.5071 8.68293 13.5125 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 5.95165 4.46394 5.96346 9.80646 6.84216 6.76736 numMergedOcc 0
4 mol 11 unq 2 iso 0 dist 5.7435 4.08268 4.30695 9.79134 8.01262 6.03873 numMergedOcc 0
5 mol 11 unq 3 iso 0 dist 5.7435 4.08268 4.30695 8.98102 6.58046 8.84131 numMergedOcc 0
6 mol 11 unq 4 iso 0 dist 5.7435 4.24301 6.35398 9.79134 8.01262 12.9584 numMergedOcc 0
7 mol 11 unq 5 iso 0 dist 5.7435 4.24301 6.35398 8.98102 6.58046 6.51674 numMergedOcc 0
8 mol 36 unq 0 iso 0 dist 8.13896 3.81015 8.07928 5.68155 5.79779 3.94298 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.38387 7.13085 8.95682 4.15592 9.02471 10.4863 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 4.88613 4.37642 7.68678 6.09663 7.17488 8.76454 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.06168 4.53047 6.02816 15.6688 8.62079 12.0718 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.67532 7.05537 6.02816 8.22845 8.62079 12.0718 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 6.58793 3.88757 7.54568 12.1387 8.04242 13.5973 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.4545 12.49 8.18107 8.46944 5.42067 4.30488 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 8.4545 4.1125 5.9465 8.46944 5.42067 5.09449 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 7.01176 12.49 9.8859 8.46944 7.36435 4.30488 numMergedOcc 0
17 mol 92 unq 3 iso 0 dist 7.01176 4.1125 6.97962 8.46944 7.36435 5.09449 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.9747 7.43001 6.65501 4.48773 7.92856 11.6496 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 4.50572 9.5305 6.65501 3.8493 7.92856 11.6496 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 8.35636 9.74143 7.02927 3.98588 8.11702 11.1265 numMergedOcc 0
21 mol 109 unq 1 iso 0 dist 8.35636 9.74143 7.02927 12.1455 7.44558 9.63255 numMergedOcc 0
22 mol 109 unq 2 iso 0 dist 8.35636 9.51381 6.60933 3.98588 8.11702 6.57741 numMergedOcc 0
23 mol 109 unq 3 iso 0 dist 8.35636 9.51381 6.60933 12.1455 7.44558 4.0719 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 5.96967 7.02367 5.40648 numMergedOcc 0
25 mol 113 unq 1 iso 0 dist 8.89481 11.2266 8.8822 7.52951 9.30832 15.5674 numMergedOcc 0
26 mol 113 unq 2 iso 0 dist 8.89481 9.01097 9.66219 5.96967 7.02367 3.52111 numMergedOcc 0
27 mol 113 unq 3 iso 0 dist 8.89481 9.01097 9.66219 7.52951 9.30832 13.7232 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 6.40546 5.73999 8.99399 3.80816 7.60162 5.77063 numMergedOcc 0
29 mol 122 unq 0 iso 0 dist 6.78949 4.21285 8.88537 6.80573 4.42563 8.90201 numMergedOcc 0
30 mol 122 unq 1 iso 0 dist 6.78949 6.93382 9.23819 6.80573 4.42563 11.3935 numMergedOcc 0
31 mol 122 unq 2 iso 0 dist 9.40018 9.33734 8.88537 12.9961 4.42563 8.90201 numMergedOcc 0
32 mol 122 unq 3 iso 0 dist 9.40018 4.81033 9.23819 12.9961 4.42563 11.3935 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 7.81337 4.34786 8.70296 3.97269 8.80895 5.92118 numMergedOcc 0
34 mol 131 unq 1 iso 0 dist 7.81337 11.6607 9.25558 3.97269 8.80895 10.2176 numMergedOcc 0
35 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 9.81306 8.99891 14.3396 numMergedOcc 0
36 mol 143 unq 1 iso 0 dist 8.30654 11.347 8.91301 9.81306 8.99891 12.476 numMergedOcc 0
37 mol 163 unq 0 iso 0 dist 9.63873 6.09134 9.07943 14.9742 9.90947 9.82832 numMergedOcc 0
38 mol 163 unq 1 iso 0 dist 9.63873 6.09134 9.07943 13.5948 8.16252 9.10855 numMergedOcc 0
39 mol 181 unq 0 iso 0 dist 9.58911 12.0718 6.22122 3.55808 9.70481 13.4378 numMergedOcc 0
40 mol 181 unq 1 iso 0 dist 9.84952 6.78739 5.94469 3.59953 8.29467 3.63671 numMergedOcc 0
41 mol 195 unq 0 iso 0 dist 7.63036 7.14066 7.36683 8.15115 6.59544 9.10355 numMergedOcc 0
42 mol 195 unq 1 iso 0 dist 7.63036 4.58275 6.95086 8.15115 6.59544 9.70528 numMergedOcc 0
43 mol 206 unq 0 iso 0 dist 9.36079 10.9922 6.16414 12.9317 4.51255 9.36584 numMergedOcc 0
44 mol 206 unq 1 iso 0 dist 9.36079 9.89331 7.33701 12.9317 4.51255 8.97305 numMergedOcc 0
45 mol 206 unq 2 iso 0 dist 9.36079 8.83984 8.0871 12.9317 4.51255 8.90838 numMergedOcc 0
46 mol 206 unq 3 iso 0 dist 7.42904 8.16827 6.16414 10.8126 4.51255 9.36584 numMergedOcc 0
47 mol 206 unq 4 iso 0 dist 7.42904 6.06766 7.33701 10.8126 4.51255 8.97305 numMergedOcc 0
48 mol 206 unq 5 iso 0 dist 7.42904 5.82916 8.0871 10.8126 4.51255 8.90838 numMergedOcc 0
49 mol 218 unq 0 iso 0 dist 8.5119 4.87337 6.1951 6.03974 6.1896 5.34495 numMergedOcc 0
50 mol 218 unq 1 iso 0 dist 8.5119 4.87337 6.1951 8.65933 6.09255 3.83106 numMergedOcc 0
51 mol 222 unq 0 iso 0 dist 9.55777 12.979 7.67576 9.08651 5.1609 3.98604 numMergedOcc 0
52 mol 222 unq 1 iso 0 dist 9.55777 4.05539 9.82371 9.08651 5.1609 7.99695 numMergedOcc 0
53 mol 235 unq 0 iso 0 dist 9.11256 3.93066 9.55668 3.76405 8.08965 6.82702 numMergedOcc 0
54 mol 235 unq 1 iso 0 dist 7.08539 13.0408 9.55668 12.0808 8.08965 6.82702 numMergedOcc 0
55 mol 237 unq 0 iso 0 dist 8.56463 5.32535 6.99315 8.84619 9.14911 5.74428 numMergedOcc 0
56 mol 237 unq 1 iso 0 dist 9.42743 11.5107 6.99315 9.06943 9.14911 5.74428 numMergedOcc 0
57 mol 238 unq 0 iso 0 dist 9.32451 16.2294 8.94014 4.71803 8.94231 13.4894 numMergedOcc 0
58 mol 239 unq 0 iso 0 dist 6.44212 8.28901 8.84636 3.71488 4.43499 5.76503 numMergedOcc 0
59 mol 265 unq 0 iso 0 dist 7.04833 10.7881 6.71375 5.76716 9.28128 12.6979 numMergedOcc 0
60 mol 292 unq 0 iso 0 dist 9.20416 11.6878 7.07965 3.64117 6.69619 8.31265 numMergedOcc 0
61 mol 292 unq 1 iso 0 dist 9.20416 11.6878 7.07965 7.30677 4.49592 5.06937 numMergedOcc 0
62 mol 292 unq 2 iso 0 dist 7.53641 8.46139 7.07965 6.97445 6.69619 8.31265 numMergedOcc 0
63 mol 292 unq 3 iso 0 dist 7.53641 8.46139 7.07965 5.33412 4.49592 5.06937 numMergedOcc 0
