0 mol 8 unq 0 iso 0 dist 7.46102 8.25051 8.96553 4.81384 8.33604 8.27181 5.38703 7.36147 12.5407 8.79697 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 4.88613 5.40367 6.35756 9.80755 8.89374 6.47744 9.33642 5.93193 10.9921 9.9648 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.99491 4.96726 9.67592 6.84612 8.68586 5.3948 9.82294 5.9853 9.21546 5.1488 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.2377 4.99283 5.93252 12.6436 5.64598 9.77992 12.2402 4.60412 9.41049 6.96647 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 4.31731 4.65521 7.41074 10.7883 6.33833 11.6724 6.96647 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 8.91765 5.15851 10.0425 9.01568 4.95201 10.8219 9.24433 numMergedOcc 0
6 mol 75 unq 1 iso 0 dist 6.95595 10.309 8.56639 8.91765 5.15851 11.8774 9.01568 4.95201 11.2569 9.24433 numMergedOcc 0
7 mol 75 unq 2 iso 0 dist 6.95595 5.80162 8.59017 8.91765 5.15851 10.0372 9.01568 4.95201 12.2335 9.24433 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 8.88225 8.73453 9.5497 14.1743 7.79359 9.68893 16.2616 7.89966 14.5863 6.13833 numMergedOcc 0
9 mol 86 unq 1 iso 0 dist 9.49308 10.7693 9.5497 12.091 7.79359 9.68893 13.822 7.89966 14.5863 6.13833 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.44713 4.1386 7.35754 9.39191 8.68821 5.33327 17.2913 12.8158 13.3463 9.33819 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 8.32241 4.84035 6.06638 4.56139 7.75534 7.01257 13.0491 12.3787 13.8457 8.62574 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 4.72188 8.74308 6.76754 5.74058 5.21262 9.0918 8.28884 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 5.86531 6.26797 7.11802 5.80615 7.92688 4.68409 12.4361 11.0256 9.1146 7.46812 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.86531 9.73435 8.00618 5.80615 7.92688 12.2037 12.4361 11.0256 15.6213 7.46812 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 10.9006 7.37327 11.1462 13.2206 5.38569 12.5003 7.39743 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 10.9006 7.37327 13.3389 13.2206 5.38569 12.5213 7.39743 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 7.90095 6.87664 7.98696 15.8383 12.8561 7.49783 9.89345 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 8.39002 5.72088 6.57273 7.90095 6.87664 7.12232 15.8383 12.8561 11.5265 9.89345 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 8.39002 6.51315 5.78342 7.90095 6.87664 5.3621 15.8383 12.8561 14.8623 9.89345 numMergedOcc 0
