0 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 6.06561 5.46498 5.32694 6.76292 6.56335 10.454 6.70071 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.46752 6.06561 5.46498 5.66097 7.63133 5.32694 6.76292 6.56335 6.70071 10.454 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.46752 5.66097 7.63133 8.02077 8.71745 10.4155 6.76292 6.56335 10.454 4.50891 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 7.46752 8.02077 8.71745 5.66097 7.63133 10.4155 6.76292 6.56335 4.50891 10.454 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 7.46752 6.06561 5.46498 8.02077 8.71745 5.74188 6.76292 6.56335 6.70071 4.50891 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 7.46752 8.02077 8.71745 6.06561 5.46498 5.74188 6.76292 6.56335 4.50891 6.70071 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.46655 8.94845 7.17396 6.32263 9.21998 6.05545 9.70283 8.64015 11.0904 12.9211 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 6.46655 6.32263 9.21998 8.94845 7.17396 6.05545 9.70283 8.64015 12.9211 11.0904 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.79954 14.1415 9.38498 12.8388 9.96396 15.7123 5.67493 7.04044 15.7304 8.26458 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 5.79954 12.8388 9.96396 14.1415 9.38498 15.7123 5.67493 7.04044 8.26458 15.7304 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.79954 14.1415 9.38498 9.65653 9.75218 13.7412 5.67493 7.04044 15.7304 8.35241 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 5.79954 9.65653 9.75218 14.1415 9.38498 13.7412 5.67493 7.04044 8.35241 15.7304 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 5.79954 12.8388 9.96396 9.65653 9.75218 12.016 5.67493 7.04044 8.26458 8.35241 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 5.79954 9.65653 9.75218 12.8388 9.96396 12.016 5.67493 7.04044 8.35241 8.26458 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 7.01889 7.9573 9.38498 15.0744 9.96396 15.7123 11.2215 7.04044 15.7304 8.26458 numMergedOcc 0
15 mol 73 unq 2 iso 1 dist 7.01889 15.0744 9.96396 7.9573 9.38498 15.7123 11.2215 7.04044 8.26458 15.7304 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 7.01889 7.9573 9.38498 8.11922 9.75218 13.7412 11.2215 7.04044 15.7304 8.35241 numMergedOcc 0
17 mol 73 unq 3 iso 1 dist 7.01889 8.11922 9.75218 7.9573 9.38498 13.7412 11.2215 7.04044 8.35241 15.7304 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 7.01889 15.0744 9.96396 8.11922 9.75218 12.016 11.2215 7.04044 8.26458 8.35241 numMergedOcc 0
19 mol 73 unq 3 iso 1 dist 7.01889 8.11922 9.75218 15.0744 9.96396 12.016 11.2215 7.04044 8.35241 8.26458 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 5.81552 10.626 9.60462 5.27363 7.45389 7.05226 7.79791 8.729 11.0629 5.48848 numMergedOcc 0
21 mol 112 unq 0 iso 1 dist 5.81552 5.27363 7.45389 10.626 9.60462 7.05226 7.79791 8.729 5.48848 11.0629 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 7.64822 7.88312 7.69052 4.64486 5.74857 6.08806 7.21418 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 9.56867 7.64822 7.88312 9.97256 6.11741 7.69052 4.64486 5.74857 7.21418 6.08806 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 7.97208 12.5576 6.54501 9.52819 6.49416 5.00526 11.5403 5.53031 5.35679 8.46636 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 7.97208 9.52819 6.49416 12.5576 6.54501 5.00526 11.5403 5.53031 8.46636 5.35679 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 6.86297 8.03427 8.87694 7.56632 9.09754 9.50685 8.88762 6.85302 8.90184 4.37002 numMergedOcc 0
27 mol 186 unq 0 iso 1 dist 6.86297 7.56632 9.09754 8.03427 8.87694 9.50685 8.88762 6.85302 4.37002 8.90184 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 6.86297 8.03427 8.87694 7.56632 9.09754 9.50685 7.55335 9.98215 12.8303 4.64235 numMergedOcc 0
29 mol 186 unq 1 iso 1 dist 6.86297 7.56632 9.09754 8.03427 8.87694 9.50685 7.55335 9.98215 4.64235 12.8303 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 9.54287 8.51516 10.8344 12.0796 6.85441 8.17229 5.74707 numMergedOcc 0
31 mol 204 unq 0 iso 1 dist 7.7292 9.54287 8.51516 13.4646 7.10633 10.8344 12.0796 6.85441 5.74707 8.17229 numMergedOcc 0
32 mol 206 unq 0 iso 0 dist 7.10166 5.15743 8.02137 13.609 9.774 10.4 9.72247 8.70977 6.3188 9.9412 numMergedOcc 0
33 mol 206 unq 0 iso 1 dist 7.10166 13.609 9.774 5.15743 8.02137 10.4 9.72247 8.70977 9.9412 6.3188 numMergedOcc 0
34 mol 206 unq 1 iso 0 dist 9.66896 15.7773 8.02137 12.0196 9.774 10.4 12.2373 8.70977 6.3188 9.9412 numMergedOcc 0
35 mol 206 unq 1 iso 1 dist 9.66896 12.0196 9.774 15.7773 8.02137 10.4 12.2373 8.70977 9.9412 6.3188 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 9.40003 16.5528 9.65138 9.11345 7.14453 9.10746 12.2978 6.38157 7.38025 9.35273 numMergedOcc 0
37 mol 214 unq 0 iso 1 dist 9.40003 9.11345 7.14453 16.5528 9.65138 9.10746 12.2978 6.38157 9.35273 7.38025 numMergedOcc 0
38 mol 214 unq 1 iso 0 dist 9.40003 16.5528 9.65138 16.922 8.85478 4.40923 12.2978 6.38157 7.38025 5.63388 numMergedOcc 0
39 mol 214 unq 1 iso 1 dist 9.40003 16.922 8.85478 16.5528 9.65138 4.40923 12.2978 6.38157 5.63388 7.38025 numMergedOcc 0
40 mol 214 unq 1 iso 0 dist 9.40003 9.11345 7.14453 16.922 8.85478 11.3796 12.2978 6.38157 9.35273 5.63388 numMergedOcc 0
41 mol 214 unq 1 iso 1 dist 9.40003 16.922 8.85478 9.11345 7.14453 11.3796 12.2978 6.38157 5.63388 9.35273 numMergedOcc 0
42 mol 214 unq 2 iso 0 dist 8.68385 10.2443 9.65138 12.5421 7.14453 9.10746 11.7781 6.38157 7.38025 9.35273 numMergedOcc 0
43 mol 214 unq 2 iso 1 dist 8.68385 12.5421 7.14453 10.2443 9.65138 9.10746 11.7781 6.38157 9.35273 7.38025 numMergedOcc 0
44 mol 214 unq 3 iso 0 dist 8.68385 10.2443 9.65138 9.18071 8.85478 4.40923 11.7781 6.38157 7.38025 5.63388 numMergedOcc 0
45 mol 214 unq 3 iso 1 dist 8.68385 9.18071 8.85478 10.2443 9.65138 4.40923 11.7781 6.38157 5.63388 7.38025 numMergedOcc 0
46 mol 214 unq 3 iso 0 dist 8.68385 12.5421 7.14453 9.18071 8.85478 11.3796 11.7781 6.38157 9.35273 5.63388 numMergedOcc 0
47 mol 214 unq 3 iso 1 dist 8.68385 9.18071 8.85478 12.5421 7.14453 11.3796 11.7781 6.38157 5.63388 9.35273 numMergedOcc 0
48 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 15.396 8.24498 10.5449 5.41948 5.45036 6.17628 10.4136 numMergedOcc 0
49 mol 220 unq 0 iso 1 dist 8.9077 15.396 8.24498 10.6943 9.23153 10.5449 5.41948 5.45036 10.4136 6.17628 numMergedOcc 0
50 mol 220 unq 1 iso 0 dist 8.9077 10.6943 9.23153 15.396 8.24498 10.5449 15.1445 9.97586 14.0253 6.20511 numMergedOcc 0
51 mol 220 unq 1 iso 1 dist 8.9077 15.396 8.24498 10.6943 9.23153 10.5449 15.1445 9.97586 6.20511 14.0253 numMergedOcc 0
52 mol 222 unq 0 iso 0 dist 7.27481 5.68063 6.00706 5.90074 7.54212 6.8425 10.5003 8.48341 6.03524 7.60395 numMergedOcc 0
53 mol 222 unq 0 iso 1 dist 7.27481 5.90074 7.54212 5.68063 6.00706 6.8425 10.5003 8.48341 7.60395 6.03524 numMergedOcc 0
54 mol 223 unq 0 iso 0 dist 9.94212 11.4946 8.77153 13.1422 8.6166 8.51421 6.33419 6.13306 6.52273 7.12885 numMergedOcc 0
55 mol 223 unq 0 iso 1 dist 9.94212 13.1422 8.6166 11.4946 8.77153 8.51421 6.33419 6.13306 7.12885 6.52273 numMergedOcc 0
56 mol 224 unq 0 iso 0 dist 7.04127 11.7724 9.40098 4.55824 6.61986 9.54151 6.23345 8.37597 6.77927 4.59567 numMergedOcc 0
57 mol 224 unq 0 iso 1 dist 7.04127 4.55824 6.61986 11.7724 9.40098 9.54151 6.23345 8.37597 4.59567 6.77927 numMergedOcc 0
58 mol 236 unq 0 iso 0 dist 6.36941 8.3919 9.81562 4.88785 7.68742 5.79505 7.05684 8.50331 7.22918 9.05842 numMergedOcc 0
59 mol 236 unq 0 iso 1 dist 6.36941 4.88785 7.68742 8.3919 9.81562 5.79505 7.05684 8.50331 9.05842 7.22918 numMergedOcc 0
60 mol 236 unq 1 iso 0 dist 6.36941 8.3919 9.81562 10.2557 6.27581 9.90963 7.05684 8.50331 7.22918 7.00028 numMergedOcc 0
61 mol 236 unq 1 iso 1 dist 6.36941 10.2557 6.27581 8.3919 9.81562 9.90963 7.05684 8.50331 7.00028 7.22918 numMergedOcc 0
62 mol 236 unq 1 iso 0 dist 6.36941 4.88785 7.68742 10.2557 6.27581 11.3368 7.05684 8.50331 9.05842 7.00028 numMergedOcc 0
63 mol 236 unq 1 iso 1 dist 6.36941 10.2557 6.27581 4.88785 7.68742 11.3368 7.05684 8.50331 7.00028 9.05842 numMergedOcc 0
64 mol 272 unq 0 iso 0 dist 6.62923 11.9042 9.97651 5.27123 8.46116 8.12676 14.4134 9.19033 10.26 13.5034 numMergedOcc 0
65 mol 272 unq 0 iso 1 dist 6.62923 5.27123 8.46116 11.9042 9.97651 8.12676 14.4134 9.19033 13.5034 10.26 numMergedOcc 0
