0 mol 4 unq 0 iso 0 dist 7.00324 10.5475 8.24634 5.09826 7.35416 6.29581 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.62716 10.5475 9.16617 5.09826 6.42755 6.29581 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.17764 5.93318 6.02702 5.1316 6.14469 6.55304 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.17764 9.69326 8.72114 5.1316 6.14469 6.34041 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 6.29581 3.78339 7.51452 6.92643 5.86181 10.0815 numMergedOcc 0
5 mol 20 unq 1 iso 0 dist 6.29581 3.78339 7.51452 12.586 6.3253 13.457 numMergedOcc 0
6 mol 20 unq 2 iso 0 dist 6.29581 3.78339 7.51452 9.82353 5.80568 11.3821 numMergedOcc 0
7 mol 20 unq 3 iso 0 dist 6.29581 14.473 9.20198 6.92643 5.86181 8.96335 numMergedOcc 0
8 mol 20 unq 4 iso 0 dist 6.29581 14.473 9.20198 12.586 6.3253 6.05944 numMergedOcc 0
9 mol 20 unq 5 iso 0 dist 6.29581 14.473 9.20198 9.82353 5.80568 7.46656 numMergedOcc 0
10 mol 20 unq 6 iso 0 dist 5.21143 6.18887 7.51452 7.05618 5.86181 10.0815 numMergedOcc 0
11 mol 20 unq 7 iso 0 dist 5.21143 6.18887 7.51452 10.3161 6.3253 13.457 numMergedOcc 0
12 mol 20 unq 8 iso 0 dist 5.21143 6.18887 7.51452 5.82005 5.80568 11.3821 numMergedOcc 0
13 mol 20 unq 9 iso 0 dist 5.21143 12.502 9.20198 7.05618 5.86181 8.96335 numMergedOcc 0
14 mol 20 unq 10 iso 0 dist 5.21143 12.502 9.20198 10.3161 6.3253 6.05944 numMergedOcc 0
15 mol 20 unq 11 iso 0 dist 5.21143 12.502 9.20198 5.82005 5.80568 7.46656 numMergedOcc 0
16 mol 26 unq 0 iso 0 dist 8.69142 7.89671 6.46104 13.7478 6.93197 7.23703 numMergedOcc 0
17 mol 26 unq 1 iso 0 dist 8.69142 11.9181 7.36856 13.7478 6.93197 5.81765 numMergedOcc 0
18 mol 26 unq 2 iso 0 dist 8.43523 14.4644 6.46104 11.2171 6.93197 7.23703 numMergedOcc 0
19 mol 26 unq 3 iso 0 dist 8.43523 10.4441 7.36856 11.2171 6.93197 5.81765 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 5.20528 9.53239 9.82915 12.9555 9.66222 10.4987 numMergedOcc 0
21 mol 98 unq 0 iso 0 dist 5.21813 5.90686 6.7117 6.3915 7.36769 7.94178 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 5.21813 5.90686 6.7117 5.081 6.88901 4.4057 numMergedOcc 0
23 mol 98 unq 2 iso 0 dist 5.21813 9.41666 4.47349 6.3915 7.36769 9.85543 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 5.21813 9.41666 4.47349 5.081 6.88901 9.67482 numMergedOcc 0
25 mol 98 unq 4 iso 0 dist 5.21813 9.57791 5.65185 6.3915 7.36769 7.28361 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 5.21813 9.57791 5.65185 5.081 6.88901 12.0974 numMergedOcc 0
27 mol 98 unq 6 iso 0 dist 7.89276 12.4645 6.7117 11.0602 7.36769 7.94178 numMergedOcc 0
28 mol 98 unq 7 iso 0 dist 7.89276 12.4645 6.7117 14.1992 6.88901 4.4057 numMergedOcc 0
29 mol 98 unq 8 iso 0 dist 7.89276 4.89219 4.47349 11.0602 7.36769 9.85543 numMergedOcc 0
30 mol 98 unq 9 iso 0 dist 7.89276 4.89219 4.47349 14.1992 6.88901 9.67482 numMergedOcc 0
31 mol 98 unq 10 iso 0 dist 7.89276 3.91112 5.65185 11.0602 7.36769 7.28361 numMergedOcc 0
32 mol 98 unq 11 iso 0 dist 7.89276 3.91112 5.65185 14.1992 6.88901 12.0974 numMergedOcc 0
33 mol 113 unq 0 iso 0 dist 8.49444 12.9469 8.8822 13.2576 6.6317 7.27193 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 7.85849 9.30817 7.69991 6.64576 6.40575 7.41674 numMergedOcc 0
35 mol 134 unq 1 iso 0 dist 7.85849 10.879 6.23142 6.64576 6.40575 9.87376 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 7.85849 16.7911 9.94764 6.64576 6.40575 14.9876 numMergedOcc 0
37 mol 134 unq 3 iso 0 dist 9.35946 5.65802 5.83771 7.07473 6.40575 4.60632 numMergedOcc 0
38 mol 134 unq 4 iso 0 dist 9.35946 10.9294 7.80532 7.07473 6.40575 5.71679 numMergedOcc 0
39 mol 134 unq 5 iso 0 dist 6.08299 6.16353 7.69991 5.87436 6.40575 7.41674 numMergedOcc 0
40 mol 134 unq 6 iso 0 dist 6.08299 7.07625 6.23142 5.87436 6.40575 9.87376 numMergedOcc 0
41 mol 134 unq 7 iso 0 dist 6.08299 10.4858 9.94764 5.87436 6.40575 14.9876 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 5.42285 11.1222 9.00416 13.6106 8.21184 10.8404 numMergedOcc 0
43 mol 156 unq 1 iso 0 dist 5.42285 11.1222 9.00416 10.3208 5.9976 5.18356 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 9.01017 10.5409 6.46704 5.06341 7.32087 7.81713 numMergedOcc 0
45 mol 181 unq 1 iso 0 dist 9.54437 8.70038 6.46704 14.4514 7.32087 7.81713 numMergedOcc 0
46 mol 184 unq 0 iso 0 dist 6.71675 4.59843 6.42735 11.5379 7.54099 8.08596 numMergedOcc 0
47 mol 265 unq 0 iso 0 dist 7.87337 10.3482 6.71375 4.80754 8.984 10.0732 numMergedOcc 0
48 mol 271 unq 0 iso 0 dist 6.7192 10.6358 8.98576 9.6593 5.92274 5.53238 numMergedOcc 0
49 mol 271 unq 1 iso 0 dist 6.7192 5.64566 8.92636 9.6593 5.92274 9.1619 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 6.74022 10.7073 8.52587 8.85159 6.88827 6.20558 numMergedOcc 0
51 mol 274 unq 1 iso 0 dist 6.74022 10.7073 8.52587 9.16187 9.16942 16.3619 numMergedOcc 0
52 mol 274 unq 2 iso 0 dist 6.74022 6.45522 6.39866 8.85159 6.88827 6.16703 numMergedOcc 0
53 mol 274 unq 3 iso 0 dist 6.74022 6.45522 6.39866 9.16187 9.16942 5.64601 numMergedOcc 0
54 mol 280 unq 0 iso 0 dist 9.35785 10.6459 9.76787 5.51019 6.73712 6.19336 numMergedOcc 0
55 mol 287 unq 0 iso 0 dist 8.25538 11.7745 6.89451 7.64544 6.95912 7.83813 numMergedOcc 0
56 mol 288 unq 0 iso 0 dist 8.25538 11.7745 6.89451 7.64544 6.95912 7.83813 numMergedOcc 0
57 mol 289 unq 0 iso 0 dist 8.25538 11.7745 6.89451 7.64544 6.95912 7.83813 numMergedOcc 0
