0 mol 70 unq 0 iso 0 dist 7.63663 6.69775 6.54023 12.2091 5.22626 9.31969 14.4842 7.92394 11.6542 8.33704 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.124 16.0036 8.73253 10.1112 5.4148 7.04044 10.0721 4.65521 11.2505 8.70133 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.16299 11.9686 8.85586 10.8051 8.07446 5.16364 14.1688 13.6145 5.69513 7.13087 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.27015 16.4476 8.85586 13.7608 8.07446 5.16364 20.5776 13.6145 5.69513 7.13087 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.84523 9.01694 5.34214 9.45397 4.98336 7.55384 5.38332 5.87358 5.94311 9.20981 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 9.45397 9.01694 7.55384 8.84523 4.98336 5.34214 5.38332 9.20981 5.94311 5.87358 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 9.33945 11.8905 8.86329 14.2573 5.55373 8.71039 18.1778 12.5969 8.15392 8.6243 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 8.99949 14.8405 9.29384 15.0798 6.63273 6.92648 9.45501 6.91348 6.01893 8.6243 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.47675 7.97183 7.86572 7.34465 6.21253 6.69515 11.9359 11.8898 8.00633 6.93652 numMergedOcc 0
9 mol 218 unq 0 iso 0 dist 4.851 11.3699 9.20961 9.66527 5.61978 5.76954 16.5352 13.6555 8.21424 8.53199 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 12.0857 5.22356 5.4694 14.7139 13.4493 5.23507 9.62609 numMergedOcc 0
11 mol 227 unq 1 iso 0 dist 9.60159 11.2986 8.38865 12.0857 5.22356 5.4694 7.35206 8.17891 5.92529 6.95902 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 8.96639 5.40359 6.4398 12.8735 12.5477 6.48619 9.68513 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 5.67917 6.85179 6.66971 8.96639 5.40359 6.4398 10.761 9.90142 5.8333 5.9216 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 5.67917 6.85179 6.66971 12.6253 10.0191 7.32982 12.8735 12.5477 6.48619 9.29858 numMergedOcc 0
15 mol 238 unq 3 iso 0 dist 8.96639 6.85179 6.4398 5.67917 5.40359 6.66971 10.761 5.9216 5.8333 9.90142 numMergedOcc 0
16 mol 238 unq 4 iso 0 dist 8.96639 6.85179 6.4398 12.6253 10.1648 7.32982 12.8735 9.68513 6.48619 9.29858 numMergedOcc 0
17 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 13.7335 4.28414 8.44909 13.7594 6.15305 9.75032 7.03489 numMergedOcc 0
18 mol 276 unq 0 iso 0 dist 8.54938 5.38576 7.88706 11.8795 10.6102 6.70215 7.92231 13.6336 5.86074 9.38971 numMergedOcc 0
19 mol 276 unq 1 iso 0 dist 8.54938 5.38576 7.88706 11.2314 12.4616 7.23916 7.92231 13.6336 5.86074 8.71541 numMergedOcc 0
