0 mol 0 unq 0 iso 0 dist 9.5614 5.25456 7.15528 13.7029 10.4498 9.23213 21.3535 19.297 16.5727 9.94248 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.55156 7.1599 7.15528 14.4883 10.4498 9.23213 22.6823 19.297 16.5727 9.94248 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 9.47421 5.94084 5.47769 10.3638 9.79958 5.45161 5.77753 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 7.46752 6.06561 5.46498 9.47421 5.94084 6.58035 10.3638 9.79958 6.43294 5.77753 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.18518 6.57145 4.54938 5.36258 6.55187 8.23643 6.1852 13.8602 12.4435 9.04865 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.18518 6.01189 7.82074 5.36258 6.55187 8.73972 6.1852 13.8602 9.84922 9.04865 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 9.0361 7.49575 7.36792 6.793 5.498 9.94856 5.51997 9.80678 5.54551 9.50209 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 6.09472 5.74878 4.99221 8.81198 5.60178 6.50039 9.42841 8.81562 5.71451 5.60716 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 6.09472 5.74878 4.99221 8.81198 5.60178 6.50039 5.14617 6.86946 5.889 5.52706 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 8.93552 6.07331 4.99221 12.1661 5.60178 6.50039 10.887 8.81562 5.71451 5.60716 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 8.93552 6.07331 4.99221 12.1661 5.60178 6.50039 11.6665 6.86946 5.889 5.52706 numMergedOcc 0
11 mol 115 unq 4 iso 0 dist 6.20658 7.09627 4.99221 11.3523 5.60178 6.50039 12.6008 8.81562 5.71451 5.60716 numMergedOcc 0
12 mol 115 unq 5 iso 0 dist 6.20658 7.09627 4.99221 11.3523 5.60178 6.50039 9.9398 6.86946 5.889 5.52706 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 6.65963 10.345 8.14887 18.5156 14.9761 8.59981 26.2761 22.9955 16.0489 8.20636 numMergedOcc 0
14 mol 127 unq 1 iso 0 dist 6.65963 10.345 8.14887 18.5156 14.9761 8.59981 15.8417 12.4824 9.75166 8.03243 numMergedOcc 0
15 mol 127 unq 2 iso 0 dist 7.73139 11.0785 9.30299 17.6467 14.085 8.59981 24.9102 22.1143 16.0489 8.20636 numMergedOcc 0
16 mol 127 unq 3 iso 0 dist 7.73139 11.0785 9.30299 17.6467 14.085 8.59981 14.0161 8.40046 9.75166 8.03243 numMergedOcc 0
17 mol 127 unq 4 iso 0 dist 6.66607 8.89539 9.30299 10.9741 14.085 8.59981 17.9332 22.1143 16.0489 8.20636 numMergedOcc 0
18 mol 127 unq 5 iso 0 dist 6.66607 8.89539 9.30299 10.9741 14.085 8.59981 6.39358 8.40046 9.75166 8.03243 numMergedOcc 0
19 mol 127 unq 6 iso 0 dist 8.62711 10.345 9.30299 18.5156 14.085 8.59981 26.2761 22.1143 16.0489 8.20636 numMergedOcc 0
20 mol 127 unq 7 iso 0 dist 8.62711 10.345 9.30299 18.5156 14.085 8.59981 15.8417 8.40046 9.75166 8.03243 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 6.6776 13.7028 9.0018 12.5642 11.0415 9.31887 18.5731 17.1425 12.1089 6.84347 numMergedOcc 0
22 mol 182 unq 0 iso 0 dist 9.36307 9.72559 9.31746 12.0424 11.1088 6.73313 4.39505 7.86625 5.40949 9.23118 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 9.40003 16.922 8.85478 13.7287 6.67959 7.46831 10.6403 8.49704 10.644 6.35728 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 8.68385 9.18071 8.85478 10.7631 6.67959 7.46831 15.7236 8.49704 10.644 6.35728 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 7.27481 5.90074 7.54212 7.46845 7.61682 7.18956 4.56782 8.7347 4.28891 5.04916 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 4.79841 11.4653 8.95269 11.4157 7.98696 6.87664 9.46589 9.34636 5.63485 8.60781 numMergedOcc 0
