0 mol 7 unq 0 iso 0 dist 6.22892 5.13744 6.36911 10.9229 5.03847 9.97624 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.47321 8.48796 8.47421 14.7729 9.5997 9.57198 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.97875 7.75648 9.53002 12.0426 10.9183 8.73067 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.10915 12.9814 8.68586 12.219 6.21578 9.32552 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.66921 11.75 8.68586 14.1509 6.21578 9.32552 numMergedOcc 0
5 mol 64 unq 2 iso 0 dist 5.54343 5.68492 8.68586 9.23947 6.21578 9.32552 numMergedOcc 0
6 mol 64 unq 3 iso 0 dist 9.99634 11.6323 9.54144 17.7697 11.4485 9.32552 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 4.24428 5.14919 5.64598 10.9561 8.44406 7.10439 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.30194 5.14919 4.65521 10.9561 6.56633 7.10439 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 5.79954 13.1044 8.70133 6.66506 5.11416 7.10439 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.01889 15.124 8.70133 11.8962 5.11416 7.10439 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 5.49623 6.26867 7.87814 9.22889 6.54837 5.9249 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 9.1329 11.1364 7.51358 13.9172 5.95671 7.2268 numMergedOcc 0
13 mol 87 unq 1 iso 0 dist 9.1329 11.1364 7.51358 11.2227 4.33593 9.69219 numMergedOcc 0
14 mol 87 unq 2 iso 0 dist 9.1329 16.0648 8.93296 18.9904 9.9869 9.28624 numMergedOcc 0
15 mol 87 unq 3 iso 0 dist 9.1329 16.0648 8.93296 13.9172 5.95671 8.31175 numMergedOcc 0
16 mol 87 unq 4 iso 0 dist 5.26938 7.62644 7.51358 10.3471 5.95671 7.2268 numMergedOcc 0
17 mol 87 unq 5 iso 0 dist 5.26938 7.62644 7.51358 8.97589 4.33593 9.69219 numMergedOcc 0
18 mol 87 unq 6 iso 0 dist 5.26938 10.8096 8.93296 14.8963 9.9869 9.28624 numMergedOcc 0
19 mol 87 unq 7 iso 0 dist 5.26938 10.8096 8.93296 10.3471 5.95671 8.31175 numMergedOcc 0
20 mol 87 unq 8 iso 0 dist 6.8014 5.5768 7.51358 8.59105 5.95671 7.2268 numMergedOcc 0
21 mol 87 unq 9 iso 0 dist 6.8014 5.5768 7.51358 10.562 4.33593 9.69219 numMergedOcc 0
22 mol 87 unq 10 iso 0 dist 6.8014 4.56692 8.93296 11.8663 9.9869 9.28624 numMergedOcc 0
23 mol 87 unq 11 iso 0 dist 6.8014 4.56692 8.93296 8.59105 5.95671 8.31175 numMergedOcc 0
24 mol 87 unq 12 iso 0 dist 9.03114 11.1364 8.32298 13.9172 7.93998 7.2268 numMergedOcc 0
25 mol 87 unq 13 iso 0 dist 9.03114 11.1364 8.32298 11.2227 6.09884 9.69219 numMergedOcc 0
26 mol 87 unq 14 iso 0 dist 8.91602 7.62644 8.32298 10.3471 7.93998 7.2268 numMergedOcc 0
27 mol 87 unq 15 iso 0 dist 8.91602 7.62644 8.32298 8.97589 6.09884 9.69219 numMergedOcc 0
28 mol 92 unq 0 iso 0 dist 6.30103 9.81259 7.06013 7.31426 8.51055 7.1539 numMergedOcc 0
29 mol 92 unq 1 iso 0 dist 6.30103 9.81259 7.06013 12.1756 11.3858 5.39745 numMergedOcc 0
30 mol 114 unq 0 iso 0 dist 5.97879 5.84883 6.73814 15.2252 13.7032 9.83981 numMergedOcc 0
31 mol 115 unq 0 iso 0 dist 9.56867 7.97477 6.99777 11.856 5.22052 5.60389 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 5.67862 6.30187 5.42582 10.8422 5.29786 8.73604 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 7.97208 6.30187 8.6355 10.8422 5.71679 8.73604 numMergedOcc 0
34 mol 140 unq 0 iso 0 dist 9.41832 6.92517 6.95323 11.9127 5.64422 8.60108 numMergedOcc 0
35 mol 140 unq 1 iso 0 dist 5.44596 6.92517 7.27371 11.9127 7.3833 8.60108 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 9.18691 9.53126 7.7056 9.70994 8.57817 6.46089 numMergedOcc 0
37 mol 143 unq 1 iso 0 dist 8.90592 4.85796 7.7056 9.98349 8.57817 6.46089 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 7.28355 10.0058 7.16254 15.2852 10.4923 9.0529 numMergedOcc 0
39 mol 155 unq 1 iso 0 dist 7.28355 10.5375 9.86313 15.3814 11.0769 9.80845 numMergedOcc 0
40 mol 155 unq 2 iso 0 dist 7.28355 10.5375 9.86313 15.2852 10.4923 7.55196 numMergedOcc 0
41 mol 175 unq 0 iso 0 dist 6.6776 10.2578 9.8589 8.79832 8.29015 5.4997 numMergedOcc 0
42 mol 175 unq 1 iso 0 dist 6.6776 10.2578 9.8589 14.4708 14.7282 6.99693 numMergedOcc 0
43 mol 227 unq 0 iso 0 dist 6.095 5.52229 7.22914 9.62583 6.00069 9.52615 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 9.67966 8.71179 9.39181 12.4654 5.08515 7.94068 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 9.67966 8.71179 9.39181 15.3557 12.6661 7.22019 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 8.89538 13.2905 6.77463 12.3944 10.4017 8.90076 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 8.89538 13.2905 6.77463 14.1787 7.95232 6.62002 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 8.89538 10.4286 7.2766 12.3944 10.4017 8.09718 numMergedOcc 0
49 mol 238 unq 3 iso 0 dist 8.89538 10.4286 7.2766 14.1787 7.95232 6.73446 numMergedOcc 0
50 mol 253 unq 0 iso 0 dist 8.53729 15.6651 7.19465 9.29788 5.78064 9.58354 numMergedOcc 0
51 mol 253 unq 1 iso 0 dist 8.07341 14.0411 7.19465 9.50983 5.78064 9.58354 numMergedOcc 0
52 mol 256 unq 0 iso 0 dist 7.54586 5.34142 8.09363 9.65136 10.134 7.48269 numMergedOcc 0
53 mol 256 unq 1 iso 0 dist 7.54586 5.34142 8.09363 9.47921 5.94495 6.71249 numMergedOcc 0
54 mol 256 unq 2 iso 0 dist 7.54586 5.34142 8.09363 13.6758 11.0837 9.18903 numMergedOcc 0
55 mol 256 unq 3 iso 0 dist 8.43264 8.04009 5.24676 7.54955 5.28793 7.48269 numMergedOcc 0
56 mol 256 unq 4 iso 0 dist 8.43264 8.04009 5.24676 11.9361 4.99672 6.71249 numMergedOcc 0
57 mol 256 unq 5 iso 0 dist 8.43264 8.04009 5.24676 15.3583 7.7384 9.18903 numMergedOcc 0
58 mol 282 unq 0 iso 0 dist 8.58671 4.91806 6.85028 11.3626 7.80785 6.8972 numMergedOcc 0
59 mol 282 unq 1 iso 0 dist 9.51581 10.8603 7.32347 10.5547 6.6348 6.8972 numMergedOcc 0
60 mol 284 unq 0 iso 0 dist 7.34344 5.83318 4.86729 4.87349 4.50325 6.61376 numMergedOcc 0
