0 mol 9 unq 0 iso 0 dist 9.78006 11.0722 5.55437 9.62394 7.28672 8.076 16.147 10.7921 8.88528 7.35972 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.78006 11.0722 5.55437 9.62394 7.28672 8.076 19.4709 14.8012 14.0736 9.93542 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.72502 11.2106 9.40479 8.60554 6.99746 4.90592 14.012 11.5841 10.0715 6.72323 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.72502 5.97304 9.38831 12.9284 10.025 9.69752 14.012 11.5841 11.9395 8.00171 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.72502 5.97304 9.38831 8.60554 6.99746 9.36461 14.012 11.5841 11.9395 6.72323 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.86674 6.09514 9.01011 13.4631 9.98219 8.29345 9.66102 7.39179 9.01596 9.91054 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.65802 7.23437 7.39754 7.52354 5.8102 8.29345 14.3301 10.9559 9.01596 9.91054 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 9.15431 7.21005 7.76594 10.8571 5.66194 5.39061 6.51918 5.44303 5.67023 5.87084 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 6.92648 11.5688 7.76594 11.8964 5.66194 5.39061 7.92788 5.44303 5.67023 5.87084 numMergedOcc 0
9 mol 131 unq 2 iso 0 dist 9.29384 15.7796 7.76594 14.9021 5.66194 5.39061 13.1439 5.44303 5.67023 5.87084 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 9.31851 13.6634 8.06913 18.6707 11.6326 7.46845 17.442 10.6589 12.4049 8.21184 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 9.31851 13.6634 8.06913 18.6707 11.6326 7.46845 19.1085 13.5954 11.7015 5.9976 numMergedOcc 0
12 mol 156 unq 2 iso 0 dist 9.43259 10.7023 5.90883 13.0658 11.3995 7.46845 10.4977 13.0899 12.4049 8.21184 numMergedOcc 0
13 mol 156 unq 3 iso 0 dist 9.43259 10.7023 5.90883 13.0658 11.3995 7.46845 12.4274 14.9434 11.7015 5.9976 numMergedOcc 0
14 mol 156 unq 4 iso 0 dist 6.2319 10.7023 8.06913 13.0658 11.6326 7.46845 10.4977 10.6589 12.4049 8.21184 numMergedOcc 0
15 mol 156 unq 5 iso 0 dist 6.2319 10.7023 8.06913 13.0658 11.6326 7.46845 12.4274 13.5954 11.7015 5.9976 numMergedOcc 0
16 mol 156 unq 6 iso 0 dist 9.97732 9.00862 8.06913 11.5017 11.6326 7.46845 12.3086 10.6589 12.4049 8.21184 numMergedOcc 0
17 mol 156 unq 7 iso 0 dist 9.97732 9.00862 8.06913 11.5017 11.6326 7.46845 10.9151 13.5954 11.7015 5.9976 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 9.11712 8.26419 9.75627 11.4288 11.6944 8.1536 15.1625 13.2038 9.18337 5.25109 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 9.11712 8.26419 9.75627 11.4288 11.6944 8.1536 16.341 14.8717 8.83874 8.21618 numMergedOcc 0
20 mol 171 unq 2 iso 0 dist 7.71426 4.44751 7.82546 5.93786 6.29877 7.32555 5.48551 10.352 9.8515 7.22518 numMergedOcc 0
21 mol 171 unq 3 iso 0 dist 7.71426 4.44751 7.82546 5.93786 6.29877 7.32555 7.9651 11.4752 9.54524 5.25109 numMergedOcc 0
22 mol 171 unq 4 iso 0 dist 5.10618 9.61561 7.82546 8.24693 6.29877 7.32555 8.05069 10.352 9.8515 7.22518 numMergedOcc 0
23 mol 171 unq 5 iso 0 dist 5.10618 9.61561 7.82546 8.24693 6.29877 7.32555 12.6853 11.4752 9.54524 5.25109 numMergedOcc 0
24 mol 171 unq 6 iso 0 dist 9.86681 10.2067 7.82546 13.8551 6.29877 7.32555 18.5224 10.352 9.8515 7.22518 numMergedOcc 0
25 mol 171 unq 7 iso 0 dist 9.86681 10.2067 7.82546 13.8551 6.29877 7.32555 17.7639 11.4752 9.54524 5.25109 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 6.72641 8.12143 7.23293 10.2534 5.91678 5.45675 13.7688 10.785 5.81211 6.21159 numMergedOcc 0
27 mol 194 unq 0 iso 0 dist 6.26839 6.66155 5.52678 8.65535 5.92931 6.37788 11.6598 5.68348 8.43261 6.1886 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 6.26839 5.4499 9.81666 8.65535 5.92931 8.7028 11.6598 5.68348 13.8424 6.1886 numMergedOcc 0
29 mol 194 unq 2 iso 0 dist 8.12346 6.12973 5.52678 12.0009 5.92931 6.37788 12.0887 5.68348 8.43261 6.1886 numMergedOcc 0
30 mol 194 unq 3 iso 0 dist 8.12346 11.0239 9.81666 12.0009 5.92931 8.7028 12.0887 5.68348 13.8424 6.1886 numMergedOcc 0
31 mol 194 unq 4 iso 0 dist 8.83356 13.0333 5.52678 12.645 5.92931 6.37788 7.11753 5.68348 8.43261 6.1886 numMergedOcc 0
32 mol 194 unq 5 iso 0 dist 8.83356 18.6469 9.81666 12.645 5.92931 8.7028 7.11753 5.68348 13.8424 6.1886 numMergedOcc 0
33 mol 194 unq 6 iso 0 dist 8.2654 10.1796 5.52678 13.9101 5.92931 6.37788 12.8755 5.68348 8.43261 6.1886 numMergedOcc 0
34 mol 194 unq 7 iso 0 dist 8.2654 13.5457 9.81666 13.9101 5.92931 8.7028 12.8755 5.68348 13.8424 6.1886 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 6.6561 4.76151 6.53728 13.45 14.3973 9.23935 10.4433 13.131 8.98957 8.37739 numMergedOcc 0
36 mol 225 unq 1 iso 0 dist 6.6561 4.76151 6.53728 11.7017 13.923 7.77552 10.4433 13.131 8.98957 9.47237 numMergedOcc 0
37 mol 237 unq 0 iso 0 dist 9.4811 10.2142 9.53139 15.3432 11.2776 9.54499 16.2543 16.3123 9.25593 8.10254 numMergedOcc 0
38 mol 237 unq 1 iso 0 dist 6.50471 5.12181 9.53139 12.4388 11.2776 9.54499 14.1173 16.3123 9.25593 8.10254 numMergedOcc 0
