0 mol 15 unq 0 iso 0 dist 9.63035 4.98085 8.37378 4.89563 6.78983 5.89412 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 9.63035 4.98085 8.37378 11.9367 9.50843 7.07399 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.03345 4.95472 5.99176 8.50987 7.11047 6.85556 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 5.2296 4.95472 6.98583 8.50987 10.7715 6.85556 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 7.40481 10.8137 8.60103 9.58693 4.75433 5.78706 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 7.40481 10.8137 8.60103 10.5303 10.9049 7.23884 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 7.40481 10.8137 8.60103 11.8272 11.5098 5.59328 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 7.40481 10.8137 8.60103 15.5351 15.8069 7.5242 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 5.92115 6.48813 6.52844 9.06272 6.13737 6.28565 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 8.46957 14.355 7.7461 22.6897 14.5095 9.72053 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 8.46957 14.355 7.7461 14.6335 10.449 7.7949 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.39237 8.69113 8.91143 11.9058 11.3133 7.66165 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 5.8391 4.64654 7.59757 9.9539 10.2677 7.32294 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 9.92924 5.05475 7.59757 11.1575 10.2677 7.32294 numMergedOcc 0
14 mol 209 unq 0 iso 0 dist 8.31544 6.40678 8.76128 11.7243 8.42394 6.85935 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 6.45589 8.64705 9.49129 10.2338 5.65008 7.57812 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 6.45589 8.64705 9.49129 16.4388 14.6188 9.24557 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 6.45589 3.99122 6.80544 10.2338 5.65008 8.69104 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 7.30848 5.56847 9.58168 9.14351 12.8314 5.48118 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 7.30848 5.56847 9.58168 11.2562 11.6796 7.25858 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 6.95552 5.62207 7.87648 13.8137 14.0618 9.63959 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 6.95552 5.62207 7.87648 8.26503 6.96581 9.96262 numMergedOcc 0
22 mol 258 unq 2 iso 0 dist 6.95552 5.62207 7.87648 9.80417 5.38982 7.21311 numMergedOcc 0
23 mol 271 unq 0 iso 0 dist 8.56431 5.88597 6.85471 7.59727 5.49799 9.70714 numMergedOcc 0
