0 mol 68 unq 0 iso 0 dist 9.74289 12.791 6.87176 4.55484 7.96497 11.9261 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 9.74289 10.2048 5.57389 4.55484 7.96497 7.01859 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.36475 8.53213 4.83274 8.76407 9.49449 13.8036 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.36475 5.28721 7.89214 8.76407 9.49449 6.63393 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 8.71603 14.8338 7.76275 11.6458 9.2603 8.71166 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 7.34401 10.7815 9.10488 5.64486 8.3586 7.0184 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.5778 15.9627 7.97208 17.082 8.6355 6.30187 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 9.56095 4.62955 7.28355 12.9022 7.16254 10.0058 numMergedOcc 0
8 mol 155 unq 1 iso 0 dist 9.56095 4.62955 7.28355 10.5066 9.86313 10.5375 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 9.65951 6.79211 7.7292 10.8926 5.90931 11.695 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 9.14829 12.0168 7.7292 5.63477 5.90931 11.695 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 9.33638 4.51173 9.40003 11.401 6.97182 13.377 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 9.33638 4.51173 9.40003 6.39677 6.1175 9.36638 numMergedOcc 0
13 mol 214 unq 2 iso 0 dist 9.33638 16.1753 8.68385 11.401 6.97182 8.07861 numMergedOcc 0
14 mol 214 unq 3 iso 0 dist 9.33638 16.1753 8.68385 6.39677 6.1175 10.2576 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 9.05754 13.2001 8.9077 9.9115 6.84247 10.4277 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 9.05754 13.2001 8.9077 5.53308 6.99002 12.6281 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 8.81925 11.7913 8.69148 4.95108 6.82208 8.62626 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 6.0087 15.6486 9.97357 9.3775 7.17676 11.4732 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 6.0087 15.6486 9.97357 4.59056 6.68463 14.1057 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 9.75753 12.5292 8.53729 12.2787 7.19465 15.6651 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 9.75753 8.23358 8.07341 12.2787 7.19465 14.0411 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.14812 11.49 9.67877 4.7348 6.49982 13.6436 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 6.97104 8.68481 5.30976 9.95978 8.76347 10.4141 numMergedOcc 0
24 mol 276 unq 1 iso 0 dist 8.63281 7.83895 5.30976 12.5917 8.76347 10.4141 numMergedOcc 0
