0 mol 0 unq 0 iso 0 dist 6.8892 5.55156 5.85361 7.16694 9.16606 6.94181 13.7584 11.4815 14.0556 9.94618 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.204 8.37503 11.4088 6.78528 13.7912 6.83481 7.83595 10.5615 6.40527 9.72314 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.43409 8.04926 3.73188 5.81148 8.0757 8.40931 11.2096 4.98324 7.40093 9.49909 numMergedOcc 0
3 mol 124 unq 0 iso 0 dist 7.18976 7.23052 5.1738 9.2094 8.03603 6.35314 10.619 5.26643 5.31501 5.61764 numMergedOcc 0
4 mol 140 unq 0 iso 0 dist 9.13339 8.28732 7.94378 5.90456 6.55217 9.89896 12.7279 4.8476 12.4171 9.74209 numMergedOcc 0
5 mol 220 unq 0 iso 0 dist 9.89039 8.9077 13.6952 11.9931 16.6963 6.21273 7.86207 9.09963 4.90657 8.58709 numMergedOcc 0
6 mol 220 unq 1 iso 0 dist 8.57174 8.9077 13.8822 11.9931 18.4836 6.21273 7.86207 14.3078 4.90657 8.58709 numMergedOcc 0
7 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 11.8106 16.669 5.62804 13.8632 15.7898 7.07028 5.00735 numMergedOcc 0
8 mol 230 unq 1 iso 0 dist 9.24729 8.33847 12.2372 11.8106 16.669 5.62804 13.4503 15.1259 5.26217 6.73755 numMergedOcc 0
9 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 9.44182 16.3204 6.83046 10.2234 16.88 5.29737 4.21935 numMergedOcc 0
10 mol 258 unq 0 iso 0 dist 8.10903 9.67877 13.3533 16.1624 21.4236 8.40766 17.1495 19.7905 9.45618 8.34471 numMergedOcc 0
11 mol 258 unq 1 iso 0 dist 8.10903 8.81059 5.90131 5.79358 8.73425 8.21585 7.70189 5.27718 9.22664 6.59521 numMergedOcc 0
12 mol 258 unq 2 iso 0 dist 8.70193 7.9357 4.51422 7.88062 9.65711 8.21585 12.9422 9.46467 9.22664 6.59521 numMergedOcc 0
13 mol 258 unq 3 iso 0 dist 7.25618 9.67877 15.0574 16.1624 22.099 8.40766 17.1495 20.7311 9.45618 8.34471 numMergedOcc 0
14 mol 258 unq 4 iso 0 dist 7.25618 8.81059 4.51422 5.79358 9.65711 8.21585 7.70189 9.46467 9.22664 6.59521 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 8.88741 7.15785 6.43209 5.72823 11.9931 9.95681 6.41477 10.1876 4.50761 9.56414 numMergedOcc 0
16 mol 261 unq 1 iso 0 dist 8.88741 9.43169 7.78464 5.72823 11.9931 9.05762 6.41477 10.1876 8.80293 9.56414 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 9.34051 9.81087 7.24261 9.24343 11.7974 5.82876 11.8821 15.5347 12.0757 8.26695 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 9.34051 9.81087 7.24261 9.24343 11.7974 5.82876 6.12202 10.3702 7.96313 5.59151 numMergedOcc 0
19 mol 274 unq 2 iso 0 dist 9.34051 9.81087 7.24261 9.24343 11.7974 5.82876 12.988 13.5999 7.97998 8.17922 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 8.03486 6.47376 4.51031 4.77763 11.6898 8.68797 5.78017 7.78018 5.34376 8.36655 numMergedOcc 0
