0 mol 19 unq 0 iso 0 dist 8.78293 8.23643 12.7954 6.92532 15.1136 6.87842 10.8007 19.07 14.2119 7.48847 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 8.23643 8.78293 12.7954 6.92532 6.87842 15.1136 10.8007 14.2119 19.07 7.48847 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.78293 8.23643 12.7954 6.92532 15.1136 6.87842 5.03957 12.6444 8.73972 6.36455 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 8.23643 8.78293 12.7954 6.92532 6.87842 15.1136 5.03957 8.73972 12.6444 6.36455 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.78293 7.82528 14.7664 6.92532 15.1136 6.34272 10.8007 19.07 6.00439 7.48847 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 7.82528 8.78293 14.7664 6.92532 6.34272 15.1136 10.8007 6.00439 19.07 7.48847 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 8.78293 7.82528 14.7664 6.92532 15.1136 6.34272 5.03957 12.6444 10.2708 6.36455 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 7.82528 8.78293 14.7664 6.92532 6.34272 15.1136 5.03957 10.2708 12.6444 6.36455 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 8.23643 7.82528 11.0033 6.92532 6.87842 6.34272 10.8007 14.2119 6.00439 7.48847 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 7.82528 8.23643 11.0033 6.92532 6.34272 6.87842 10.8007 6.00439 14.2119 7.48847 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 8.23643 7.82528 11.0033 6.92532 6.87842 6.34272 5.03957 8.73972 10.2708 6.36455 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 7.82528 8.23643 11.0033 6.92532 6.34272 6.87842 5.03957 10.2708 8.73972 6.36455 numMergedOcc 0
12 mol 70 unq 0 iso 0 dist 7.92394 9.93423 4.25121 6.54023 11.6542 11.7156 5.22626 8.33704 11.6205 9.31969 numMergedOcc 0
13 mol 70 unq 0 iso 1 dist 9.93423 7.92394 4.25121 6.54023 11.7156 11.6542 5.22626 11.6205 8.33704 9.31969 numMergedOcc 0
14 mol 70 unq 1 iso 0 dist 7.92394 9.34122 13.6636 6.54023 11.6542 4.95817 5.22626 8.33704 13.4942 9.31969 numMergedOcc 0
15 mol 70 unq 1 iso 1 dist 9.34122 7.92394 13.6636 6.54023 4.95817 11.6542 5.22626 13.4942 8.33704 9.31969 numMergedOcc 0
16 mol 70 unq 1 iso 0 dist 9.93423 9.34122 12.434 6.54023 11.7156 4.95817 5.22626 11.6205 13.4942 9.31969 numMergedOcc 0
17 mol 70 unq 1 iso 1 dist 9.34122 9.93423 12.434 6.54023 4.95817 11.7156 5.22626 13.4942 11.6205 9.31969 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 6.91348 9.51418 10.2027 9.29384 6.01893 15.1974 13.2572 14.1661 20.4785 9.15431 numMergedOcc 0
19 mol 131 unq 0 iso 1 dist 9.51418 6.91348 10.2027 9.29384 15.1974 6.01893 13.2572 20.4785 14.1661 9.15431 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 6.91348 9.51418 10.2027 9.29384 6.01893 15.1974 6.63273 8.6243 12.9472 6.92648 numMergedOcc 0
21 mol 131 unq 1 iso 1 dist 9.51418 6.91348 10.2027 9.29384 15.1974 6.01893 6.63273 12.9472 8.6243 6.92648 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 6.94688 6.71012 5.3528 6.51749 10.4684 12.69 10.1912 14.4632 15.4777 7.20392 numMergedOcc 0
23 mol 181 unq 0 iso 1 dist 6.71012 6.94688 5.3528 6.51749 12.69 10.4684 10.1912 15.4777 14.4632 7.20392 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 5.48258 6.15769 7.46053 8.83356 7.69247 13.9521 14.6506 12.1599 18.923 6.26839 numMergedOcc 0
25 mol 194 unq 0 iso 1 dist 6.15769 5.48258 7.46053 8.83356 13.9521 7.69247 14.6506 18.923 12.1599 6.26839 numMergedOcc 0
26 mol 194 unq 1 iso 0 dist 5.48258 6.15769 7.46053 8.83356 7.69247 13.9521 13.5632 13.8412 18.1875 8.12346 numMergedOcc 0
27 mol 194 unq 1 iso 1 dist 6.15769 5.48258 7.46053 8.83356 13.9521 7.69247 13.5632 18.1875 13.8412 8.12346 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 5.48258 6.15769 7.46053 8.83356 7.69247 13.9521 11.6097 10.3975 14.4527 8.2654 numMergedOcc 0
29 mol 194 unq 2 iso 1 dist 6.15769 5.48258 7.46053 8.83356 13.9521 7.69247 11.6097 14.4527 10.3975 8.2654 numMergedOcc 0
30 mol 195 unq 0 iso 0 dist 8.36117 6.77578 5.42587 7.62942 9.08602 8.18628 10.7531 9.36654 11.955 6.60567 numMergedOcc 0
31 mol 195 unq 0 iso 1 dist 6.77578 8.36117 5.42587 7.62942 8.18628 9.08602 10.7531 11.955 9.36654 6.60567 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 9.62609 6.95902 8.55671 5.4694 5.23507 5.92529 5.22356 13.4493 8.17891 8.38865 numMergedOcc 0
33 mol 227 unq 0 iso 1 dist 6.95902 9.62609 8.55671 5.4694 5.92529 5.23507 5.22356 8.17891 13.4493 8.38865 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 9.5707 7.85175 5.32617 7.5366 16.5499 13.0974 9.82284 17.3705 14.5666 7.56091 numMergedOcc 0
35 mol 234 unq 0 iso 1 dist 7.85175 9.5707 5.32617 7.5366 13.0974 16.5499 9.82284 14.5666 17.3705 7.56091 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 9.5707 7.85175 5.32617 7.5366 16.5499 13.0974 5.88703 10.3388 6.25105 8.24186 numMergedOcc 0
37 mol 234 unq 1 iso 1 dist 7.85175 9.5707 5.32617 7.5366 13.0974 16.5499 5.88703 6.25105 10.3388 8.24186 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 9.68513 5.9216 4.83721 6.4398 6.48619 5.8333 5.40359 12.5477 9.90142 6.66971 numMergedOcc 0
39 mol 238 unq 0 iso 1 dist 5.9216 9.68513 4.83721 6.4398 5.8333 6.48619 5.40359 9.90142 12.5477 6.66971 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 9.68513 5.9216 4.83721 6.4398 6.48619 5.8333 10.1648 9.29858 10.7386 7.32982 numMergedOcc 0
41 mol 238 unq 1 iso 1 dist 5.9216 9.68513 4.83721 6.4398 5.8333 6.48619 10.1648 10.7386 9.29858 7.32982 numMergedOcc 0
42 mol 240 unq 0 iso 0 dist 6.15305 8.0951 11.0721 9.47583 9.75032 12.9871 4.28414 7.03489 12.1358 8.44909 numMergedOcc 0
43 mol 240 unq 0 iso 1 dist 8.0951 6.15305 11.0721 9.47583 12.9871 9.75032 4.28414 12.1358 7.03489 8.44909 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 6.77938 7.76676 6.1415 8.59697 12.1218 9.22203 9.98105 14.5785 10.4634 8.55558 numMergedOcc 0
45 mol 259 unq 0 iso 1 dist 7.76676 6.77938 6.1415 8.59697 9.22203 12.1218 9.98105 10.4634 14.5785 8.55558 numMergedOcc 0
