0 mol 11 unq 0 iso 0 dist 4.61088 6.54358 4.10106 9.68636 6.84216 9.89425 12.2274 8.05213 9.58844 4.79838 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.58835 9.33906 5.1274 5.84319 8.27463 12.4561 6.34173 5.67689 6.00679 9.44125 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.64012 9.08221 4.00553 5.87468 6.79356 9.10675 10.9283 6.61756 9.74222 8.98478 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 4.73407 6.23522 11.6307 8.70133 13.4082 6.15714 7.78587 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 6.97941 9.6952 8.66662 3.69293 7.61521 10.9358 9.49449 6.06861 14.5852 8.90522 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 9.30299 6.08673 12.8087 12.7606 5.39356 17.4196 9.81878 4.77464 12.2579 7.79077 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 9.2313 7.81207 4.67662 4.05822 8.04118 5.42679 7.15475 9.49653 5.26247 5.69323 numMergedOcc 0
7 mol 142 unq 1 iso 0 dist 9.2313 7.18002 13.5913 4.05822 8.04118 11.1832 7.15475 9.49653 12.2806 5.69323 numMergedOcc 0
8 mol 142 unq 2 iso 0 dist 5.31024 6.14151 4.67662 4.7832 8.04118 5.42679 9.07935 9.49653 5.26247 5.69323 numMergedOcc 0
9 mol 142 unq 3 iso 0 dist 7.73169 7.81207 5.81599 4.05822 8.39035 5.42679 7.15475 7.53854 5.26247 5.69323 numMergedOcc 0
10 mol 142 unq 4 iso 0 dist 7.73169 7.18002 9.99555 4.05822 8.39035 11.1832 7.15475 7.53854 12.2806 5.69323 numMergedOcc 0
11 mol 142 unq 5 iso 0 dist 7.26382 6.14151 5.81599 4.7832 8.39035 5.42679 9.07935 7.53854 5.26247 5.69323 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 5.99315 5.37047 4.78563 9.14188 8.99891 12.5751 9.93541 5.44503 9.4389 8.08798 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 5.87555 6.70693 4.94983 4.68615 6.79114 8.60651 11.5845 7.86749 12.5388 9.70169 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 5.30224 8.03219 4.04513 5.96249 9.18798 12.3781 6.77938 4.99891 8.90322 8.22608 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 5.30224 8.03219 4.04513 5.97386 8.25897 12.1864 6.77938 4.99891 8.90322 5.23503 numMergedOcc 0
16 mol 259 unq 2 iso 0 dist 5.30224 8.03219 4.04513 5.97386 8.25897 12.1864 7.76676 5.32839 7.27192 9.61028 numMergedOcc 0
17 mol 259 unq 3 iso 0 dist 5.30224 6.9899 7.09907 5.96249 9.18798 12.745 6.77938 4.99891 9.2872 8.22608 numMergedOcc 0
18 mol 259 unq 4 iso 0 dist 5.30224 6.9899 7.09907 5.97386 8.25897 10.838 6.77938 4.99891 9.2872 5.23503 numMergedOcc 0
19 mol 259 unq 5 iso 0 dist 5.30224 6.9899 7.09907 5.97386 8.25897 10.838 7.76676 5.32839 4.61451 9.61028 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.7748 9.35539 11.4555 7.75371 5.69112 10.9065 9.41725 6.58374 7.07508 9.62597 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 9.7748 8.9682 17.6038 7.75371 5.69112 13.9096 9.41725 6.58374 18.3854 9.62597 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 9.7748 6.92711 14.772 7.75371 5.69112 11.5963 9.41725 6.58374 16.1088 9.62597 numMergedOcc 0
