0 mol 10 unq 0 iso 0 dist 9.09015 7.70383 3.3748 6.89262 9.9373 7.83087 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.09015 7.70383 3.3748 5.87835 8.4881 9.37129 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 7.70383 9.09015 3.3748 4.58419 9.97671 11.7194 numMergedOcc 0
3 mol 10 unq 3 iso 0 dist 7.70383 9.09015 3.3748 6.89262 7.83087 9.9373 numMergedOcc 0
4 mol 10 unq 4 iso 0 dist 7.70383 9.09015 3.3748 5.87835 9.37129 8.4881 numMergedOcc 0
5 mol 10 unq 5 iso 0 dist 6.97549 6.47424 8.53083 9.85097 9.6451 5.8369 numMergedOcc 0
6 mol 10 unq 6 iso 0 dist 6.97549 6.47424 8.53083 4.62965 7.55253 8.06428 numMergedOcc 0
7 mol 10 unq 7 iso 0 dist 6.47424 6.97549 8.53083 9.85097 5.8369 9.6451 numMergedOcc 0
8 mol 10 unq 8 iso 0 dist 6.47424 6.97549 8.53083 4.62965 8.06428 7.55253 numMergedOcc 0
9 mol 10 unq 9 iso 0 dist 9.59744 8.37314 8.45469 8.63915 5.8369 9.18285 numMergedOcc 0
10 mol 10 unq 10 iso 0 dist 9.59744 8.37314 8.45469 9.99655 8.06428 14.5081 numMergedOcc 0
11 mol 30 unq 0 iso 0 dist 7.30322 9.39194 9.19346 4.55207 5.82731 11.3572 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.56288 5.97559 2.58673 4.77114 8.67342 8.60062 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 6.56288 5.97559 2.58673 4.4924 5.73739 5.16225 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 5.97559 6.56288 2.58673 4.77114 8.60062 8.67342 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 5.97559 6.56288 2.58673 4.4924 5.16225 5.73739 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 9.27814 8.15861 16.3912 16.1344 8.00314 22.5744 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 5.39386 5.79819 3.00464 7.12442 6.42361 7.4121 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 5.39386 6.03024 7.05599 7.12442 6.42361 11.6856 numMergedOcc 0
19 mol 147 unq 2 iso 0 dist 5.79819 5.39386 3.00464 7.12442 7.4121 6.42361 numMergedOcc 0
20 mol 147 unq 3 iso 0 dist 5.79819 6.03024 5.61172 7.12442 7.4121 11.6856 numMergedOcc 0
21 mol 165 unq 0 iso 0 dist 7.84854 9.43781 13.4383 12.1789 8.00005 18.7351 numMergedOcc 0
22 mol 176 unq 0 iso 0 dist 8.98043 4.67031 8.45723 9.04134 9.84239 12.0308 numMergedOcc 0
23 mol 176 unq 1 iso 0 dist 8.98043 6.20326 9.21089 9.04134 9.84239 11.7582 numMergedOcc 0
24 mol 176 unq 2 iso 0 dist 8.98043 6.8243 4.47711 9.04134 9.84239 9.1728 numMergedOcc 0
25 mol 176 unq 3 iso 0 dist 8.98043 8.90797 6.34877 9.04134 9.84239 8.0255 numMergedOcc 0
26 mol 176 unq 4 iso 0 dist 8.77405 9.81187 5.3861 3.91623 9.1728 12.0308 numMergedOcc 0
27 mol 176 unq 5 iso 0 dist 8.77405 9.71347 5.04828 3.91623 9.1728 11.7582 numMergedOcc 0
28 mol 176 unq 6 iso 0 dist 8.77405 8.5107 3.47516 3.91623 9.1728 8.0255 numMergedOcc 0
29 mol 176 unq 7 iso 0 dist 6.8243 4.67031 5.3861 9.04134 9.1728 12.0308 numMergedOcc 0
30 mol 176 unq 8 iso 0 dist 6.8243 6.20326 5.04828 9.04134 9.1728 11.7582 numMergedOcc 0
31 mol 176 unq 9 iso 0 dist 6.8243 8.98043 4.47711 9.04134 9.1728 9.84239 numMergedOcc 0
32 mol 176 unq 10 iso 0 dist 6.8243 8.90797 3.47516 9.04134 9.1728 8.0255 numMergedOcc 0
33 mol 176 unq 11 iso 0 dist 8.5107 9.81187 8.21185 3.91623 8.0255 12.0308 numMergedOcc 0
34 mol 176 unq 12 iso 0 dist 8.5107 9.71347 6.79616 3.91623 8.0255 11.7582 numMergedOcc 0
35 mol 176 unq 13 iso 0 dist 8.5107 8.77405 3.47516 3.91623 8.0255 9.1728 numMergedOcc 0
36 mol 176 unq 14 iso 0 dist 8.90797 4.67031 8.21185 9.04134 8.0255 12.0308 numMergedOcc 0
37 mol 176 unq 15 iso 0 dist 8.90797 6.20326 6.79616 9.04134 8.0255 11.7582 numMergedOcc 0
38 mol 176 unq 16 iso 0 dist 8.90797 8.98043 6.34877 9.04134 8.0255 9.84239 numMergedOcc 0
39 mol 176 unq 17 iso 0 dist 8.90797 6.8243 3.47516 9.04134 8.0255 9.1728 numMergedOcc 0
40 mol 230 unq 0 iso 0 dist 7.12149 9.64987 9.60716 4.55691 5.48736 11.493 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 7.45508 5.79883 12.7924 7.24465 4.44509 12.977 numMergedOcc 0
42 mol 239 unq 1 iso 0 dist 5.79883 7.45508 12.7924 9.84235 5.4687 15.8611 numMergedOcc 0
43 mol 254 unq 0 iso 0 dist 7.94753 9.99046 2.67738 9.74352 9.672 9.15233 numMergedOcc 0
44 mol 254 unq 1 iso 0 dist 9.99046 7.94753 2.67738 9.74352 9.15233 9.672 numMergedOcc 0
45 mol 256 unq 0 iso 0 dist 4.65358 8.45584 6.42967 3.97238 7.44294 9.62515 numMergedOcc 0
46 mol 256 unq 1 iso 0 dist 8.45584 4.65358 6.42967 3.97238 9.62515 7.44294 numMergedOcc 0
47 mol 294 unq 0 iso 0 dist 5.18334 8.81999 12.3466 10.0381 8.83359 17.5286 numMergedOcc 0
48 mol 294 unq 1 iso 0 dist 5.18334 4.83062 4.59062 10.0381 8.83359 11.8158 numMergedOcc 0
49 mol 294 unq 2 iso 0 dist 6.44588 8.65363 4.59062 4.33731 8.83359 11.8158 numMergedOcc 0
