0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 9.87885 12.8323 7.92429 13.5229 7.78327 13.2302 17.9276 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.58835 6.34173 5.67689 9.33906 5.1274 6.00679 5.84319 8.27463 9.44125 12.4561 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 10.7675 9.4278 13.2217 10.8756 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 10.7434 4.86198 10.3769 9.92478 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 9.96708 7.321 9.0131 9.10345 13.4212 5.63793 10.7434 4.86198 10.3769 15.6544 numMergedOcc 0
5 mol 72 unq 2 iso 0 dist 9.78528 7.321 6.11922 9.55118 9.78221 6.74416 10.7434 6.62699 10.3769 9.92478 numMergedOcc 0
6 mol 72 unq 3 iso 0 dist 9.78528 7.321 6.11922 9.10345 11.6634 5.63793 10.7434 6.62699 10.3769 15.6544 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 9.73086 17.4121 6.15714 4.73407 6.23522 7.78587 11.6307 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.97941 9.49449 6.06861 9.6952 8.66662 14.5852 3.69293 7.61521 8.90522 10.9358 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 9.30299 9.81878 4.77464 6.08673 12.8087 12.2579 12.7606 5.39356 7.79077 17.4196 numMergedOcc 0
10 mol 127 unq 1 iso 0 dist 9.30299 9.81878 4.77464 6.08673 12.8087 12.2579 12.6193 9.92746 14.5349 16.9845 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 7.81207 4.67662 5.26247 4.05822 8.04118 5.69323 5.42679 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 9.2313 7.15475 9.49653 7.18002 13.5913 12.2806 4.05822 8.04118 5.69323 11.1832 numMergedOcc 0
13 mol 142 unq 2 iso 0 dist 5.31024 9.07935 9.49653 6.14151 4.67662 5.26247 4.7832 8.04118 5.69323 5.42679 numMergedOcc 0
14 mol 142 unq 3 iso 0 dist 7.73169 7.15475 7.53854 7.81207 5.81599 5.26247 4.05822 8.39035 5.69323 5.42679 numMergedOcc 0
15 mol 142 unq 4 iso 0 dist 7.73169 7.15475 7.53854 7.18002 9.99555 12.2806 4.05822 8.39035 5.69323 11.1832 numMergedOcc 0
16 mol 142 unq 5 iso 0 dist 7.26382 9.07935 7.53854 6.14151 5.81599 5.26247 4.7832 8.39035 5.69323 5.42679 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 9.87651 8.62646 6.58937 7.20495 7.87971 4.15547 12.8624 5.36671 11.4453 13.0085 numMergedOcc 0
18 mol 167 unq 1 iso 0 dist 9.87651 8.62646 6.58937 9.2289 12.0033 7.0046 12.8624 5.36671 11.4453 15.3259 numMergedOcc 0
19 mol 167 unq 2 iso 0 dist 9.87651 8.62646 6.58937 7.02548 11.6011 6.24722 12.8624 5.36671 11.4453 15.6111 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 7.26832 9.19704 6.23291 6.52816 13.514 13.4094 13.3822 7.13783 12.4189 19.8921 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 5.30224 6.77938 4.99891 8.03219 4.04513 8.90322 5.96249 9.18798 8.22608 12.3781 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 5.30224 6.77938 4.99891 8.03219 4.04513 8.90322 5.97386 8.25897 5.23503 12.1864 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 5.30224 6.77938 4.99891 6.9899 7.09907 9.2872 5.96249 9.18798 8.22608 12.745 numMergedOcc 0
24 mol 259 unq 3 iso 0 dist 5.30224 6.77938 4.99891 6.9899 7.09907 9.2872 5.97386 8.25897 5.23503 10.838 numMergedOcc 0
25 mol 259 unq 4 iso 0 dist 5.30224 7.76676 5.32839 8.03219 4.04513 7.27192 5.96249 9.18798 12.4194 12.3781 numMergedOcc 0
26 mol 259 unq 5 iso 0 dist 5.30224 7.76676 5.32839 8.03219 4.04513 7.27192 5.97386 8.25897 9.61028 12.1864 numMergedOcc 0
27 mol 259 unq 6 iso 0 dist 5.30224 7.76676 5.32839 6.9899 7.09907 4.61451 5.96249 9.18798 12.4194 12.745 numMergedOcc 0
28 mol 259 unq 7 iso 0 dist 5.30224 7.76676 5.32839 6.9899 7.09907 4.61451 5.97386 8.25897 9.61028 10.838 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 9.7748 9.41725 6.58374 9.35539 11.4555 7.07508 7.75371 5.69112 9.62597 10.9065 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 9.7748 9.41725 6.58374 9.35539 11.4555 7.07508 11.3546 7.2091 11.5874 12.5292 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 9.7748 9.41725 6.58374 8.9682 17.6038 18.3854 7.75371 5.69112 9.62597 13.9096 numMergedOcc 0
32 mol 277 unq 3 iso 0 dist 9.7748 9.41725 6.58374 8.9682 17.6038 18.3854 11.3546 7.2091 11.5874 16.9668 numMergedOcc 0
33 mol 277 unq 4 iso 0 dist 9.7748 9.41725 6.58374 6.92711 14.772 16.1088 7.75371 5.69112 9.62597 11.5963 numMergedOcc 0
34 mol 277 unq 5 iso 0 dist 9.7748 9.41725 6.58374 6.92711 14.772 16.1088 11.3546 7.2091 11.5874 14.8995 numMergedOcc 0
