0 mol 8 unq 0 iso 0 dist 4.92734 7.0822 8.33604 9.91124 7.3915 11.705 13.8619 12.4076 17.5554 6.82379 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 4.92734 7.0822 8.33604 9.91124 7.3915 11.705 12.8381 9.22548 16.3913 6.24978 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 4.92734 7.0822 8.33604 9.91124 7.3915 11.705 11.723 7.96511 16.2553 9.66439 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.23095 7.40735 7.685 6.06832 5.81959 9.96732 11.9439 10.6808 16.7035 6.90155 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 7.51406 9.20028 9.16962 6.81213 5.69955 4.80984 14.9006 9.78225 10.9838 8.6385 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 7.63663 14.4842 7.92394 6.69775 6.54023 11.6542 12.2091 5.22626 8.33704 9.31969 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 7.63663 14.7467 9.93423 6.69775 6.54023 11.7156 12.2091 5.22626 11.6205 9.31969 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 7.63663 5.93792 9.34122 6.69775 6.54023 4.95817 12.2091 5.22626 13.4942 9.31969 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.124 10.0721 4.65521 16.0036 8.73253 11.2505 10.1112 5.4148 8.70133 7.04044 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 9.01694 5.34214 5.94311 9.45397 4.98336 9.20981 7.55384 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 9.45397 5.38332 9.20981 9.01694 7.55384 5.94311 8.84523 4.98336 5.87358 5.34214 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.99949 9.45501 6.91348 14.8405 9.29384 6.01893 21.5913 13.2572 14.1661 9.15431 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 8.99949 9.45501 6.91348 14.8405 9.29384 6.01893 15.0798 6.63273 8.6243 6.92648 numMergedOcc 0
13 mol 131 unq 2 iso 0 dist 8.99949 9.03202 9.51418 14.8405 9.29384 15.1974 21.5913 13.2572 20.4785 9.15431 numMergedOcc 0
14 mol 131 unq 3 iso 0 dist 8.99949 9.03202 9.51418 14.8405 9.29384 15.1974 15.0798 6.63273 12.9472 6.92648 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.34465 11.9359 6.93652 7.97183 6.69515 8.00633 9.47675 6.21253 11.8898 7.86572 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 8.3705 12.124 8.36117 9.80071 7.62942 9.08602 15.8199 10.7531 9.36654 6.60567 numMergedOcc 0
17 mol 195 unq 1 iso 0 dist 8.3705 6.91511 6.77578 9.80071 7.62942 8.18628 15.8199 10.7531 11.955 6.60567 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 11.2986 8.38865 5.92529 12.0857 5.22356 6.95902 5.4694 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 5.67917 10.761 9.90142 6.85179 6.66971 5.8333 8.96639 5.40359 5.9216 6.4398 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 5.67917 10.761 9.90142 6.85179 6.66971 5.8333 12.6253 10.0191 10.7386 7.32982 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 8.96639 12.8735 9.68513 6.85179 6.4398 6.48619 5.67917 5.40359 12.5477 6.66971 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 8.96639 12.8735 9.68513 6.85179 6.4398 6.48619 12.6253 10.1648 9.29858 7.32982 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 8.96639 10.761 5.9216 6.85179 6.4398 5.8333 5.67917 5.40359 9.90142 6.66971 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 8.96639 10.761 5.9216 6.85179 6.4398 5.8333 12.6253 10.1648 10.7386 7.32982 numMergedOcc 0
25 mol 240 unq 0 iso 0 dist 9.68888 13.7594 6.15305 17.2138 9.47583 9.75032 13.7335 4.28414 7.03489 8.44909 numMergedOcc 0
26 mol 240 unq 1 iso 0 dist 9.68888 5.59975 8.0951 17.2138 9.47583 12.9871 13.7335 4.28414 12.1358 8.44909 numMergedOcc 0
