0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 14.9934 14.7759 9.68596 10.1958 10.3148 5.03847 6.14469 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 10.6838 6.86684 5.96346 14.662 13.8584 10.7734 7.98326 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 6.89666 4.73237 4.61088 10.6838 6.86684 5.96346 13.2563 10.604 9.62262 7.46578 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 18.4559 12.176 6.73939 19.765 11.3566 6.56748 5.95834 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 18.4559 12.176 6.73939 16.8563 9.83002 4.50066 4.2121 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 9.54519 13.2653 5.54419 18.4559 12.176 6.73939 12.1061 8.4051 5.11617 6.72323 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 9.54519 13.2653 5.54419 18.4559 12.176 6.73939 21.4905 16.8439 11.9112 8.00171 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 6.11056 10.4744 8.86116 16.6031 14.012 9.41441 18.311 17.592 12.2662 5.95834 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 6.11056 10.4744 8.86116 16.6031 14.012 9.41441 14.4475 13.4393 8.67951 4.2121 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 6.11056 10.4744 8.86116 16.6031 14.012 9.41441 11.095 8.60554 8.52463 6.72323 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 6.11056 10.4744 8.86116 16.6031 14.012 9.41441 14.5388 12.9284 4.32034 8.00171 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 8.78181 6.08585 8.50222 4.32173 6.16347 9.34396 6.25843 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 8.40051 13.466 7.57578 8.78181 6.08585 8.50222 16.0077 13.8469 10.5328 8.88938 numMergedOcc 0
13 mol 25 unq 2 iso 0 dist 8.40051 14.4191 7.17969 8.78181 6.08585 7.55264 4.32173 6.16347 10.8498 6.25843 numMergedOcc 0
14 mol 25 unq 3 iso 0 dist 8.40051 14.4191 7.17969 8.78181 6.08585 7.55264 16.0077 13.8469 10.4337 8.88938 numMergedOcc 0
15 mol 25 unq 4 iso 0 dist 8.6396 5.8503 5.04899 8.78181 5.77929 8.87757 4.32173 7.45383 7.33728 6.25843 numMergedOcc 0
16 mol 25 unq 5 iso 0 dist 8.6396 5.8503 5.04899 8.78181 5.77929 8.87757 16.0077 9.01548 13.9331 8.88938 numMergedOcc 0
17 mol 25 unq 6 iso 0 dist 8.88413 5.59268 7.17969 11.6272 10.8498 6.16347 10.7087 7.55264 6.08585 6.25843 numMergedOcc 0
18 mol 54 unq 0 iso 0 dist 5.97635 6.76462 6.83299 4.38047 4.29856 6.14538 10.5895 10.4031 4.24786 9.17082 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 9.54477 6.56633 9.24757 8.04207 10.2755 6.29906 8.87464 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 10.9995 7.06961 6.7117 11.9783 11.3043 7.94178 7.36769 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 5.9747 4.75138 5.08437 10.9995 7.06961 6.7117 7.43001 6.65501 4.4057 6.88901 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 10.9995 7.06961 4.47349 11.9783 11.3043 9.85543 7.36769 numMergedOcc 0
23 mol 98 unq 3 iso 0 dist 5.9747 11.3628 6.10456 10.9995 7.06961 4.47349 7.43001 6.65501 9.67482 6.88901 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 4.50572 6.88489 5.08437 11.1541 7.06961 6.7117 13.4604 11.3043 7.94178 7.36769 numMergedOcc 0
25 mol 98 unq 5 iso 0 dist 4.50572 6.88489 5.08437 11.1541 7.06961 6.7117 9.5305 6.65501 4.4057 6.88901 numMergedOcc 0
26 mol 98 unq 6 iso 0 dist 4.50572 9.82583 6.10456 11.1541 7.06961 4.47349 13.4604 11.3043 9.85543 7.36769 numMergedOcc 0
27 mol 98 unq 7 iso 0 dist 4.50572 9.82583 6.10456 11.1541 7.06961 4.47349 9.5305 6.65501 9.67482 6.88901 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 12.672 10.7293 9.36851 7.03404 6.28565 4.55551 9.73158 numMergedOcc 0
29 mol 129 unq 1 iso 0 dist 6.38163 10.0961 5.83384 11.6466 7.29399 4.97175 7.03404 6.28565 4.55551 7.59327 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 5.82404 10.2385 6.29155 6.72323 4.54648 6.16242 14.5316 10.9581 12.131 8.95662 numMergedOcc 0
31 mol 133 unq 1 iso 0 dist 5.82404 4.64588 6.80239 6.72323 4.54648 5.87634 14.5316 10.9581 14.8102 8.95662 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 12.1527 4.57832 6.23142 18.3345 10.5252 9.87376 6.40575 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 12.1527 4.57832 9.94764 18.3345 10.5252 14.9876 6.40575 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 9.60411 10.5108 6.37586 12.1527 5.29786 6.23142 18.3345 10.7586 9.87376 6.40575 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 9.60411 6.20443 9.71307 12.1527 5.29786 9.94764 18.3345 10.7586 14.9876 6.40575 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 9.55556 11.9294 8.94367 11.9876 4.57832 6.23142 17.6193 10.5252 9.87376 6.40575 numMergedOcc 0
37 mol 134 unq 5 iso 0 dist 9.55556 6.36794 9.86662 11.9876 4.57832 9.94764 17.6193 10.5252 14.9876 6.40575 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.84952 12.9554 7.63312 13.401 5.63555 5.9176 18.3673 11.9764 6.29863 7.22883 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 7.83422 8.80479 9.05071 6.36084 9.40808 4.9377 9.8664 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 9.02071 6.20558 9.85289 4.36131 8.52587 5.29529 6.88827 numMergedOcc 0
