0 mol 8 unq 0 iso 0 dist 4.92734 7.0822 8.33604 9.91124 7.3915 11.705 7.97177 8.53529 11.4716 5.65816 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 7.40735 7.685 6.06832 5.81959 9.96732 12.1434 8.6653 12.9735 6.61233 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 5.26018 9.26324 7.18176 11.8848 9.66501 8.75928 5.09324 6.31696 6.29814 12.6605 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 7.1203 6.22409 7.18176 8.65709 9.66501 8.75928 10.4823 6.31696 6.29814 12.6605 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 8.92577 7.38658 8.72704 9.57933 9.00544 14.6145 5.48646 7.38135 11.0949 5.46256 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 8.92577 7.38658 8.72704 7.04774 7.12017 6.00843 5.48646 7.38135 11.0949 9.38256 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 9.56324 15.7025 8.72704 6.95888 9.00544 14.6145 11.0196 7.38135 11.0949 5.46256 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 9.56324 15.7025 8.72704 10.3606 7.12017 6.00843 11.0196 7.38135 11.0949 9.38256 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 9.01694 5.34214 5.94311 10.8869 7.80523 6.89298 10.8469 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 6.35314 9.93612 6.83051 4.85358 8.58188 8.52488 7.64039 6.96281 6.89396 5.97523 numMergedOcc 0
10 mol 124 unq 1 iso 0 dist 6.35314 9.06209 9.28376 4.85358 8.58188 5.93612 7.64039 6.96281 7.66641 5.97523 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.99949 9.45501 6.91348 14.8405 9.29384 6.01893 10.5805 8.70296 9.93183 10.8127 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 8.99949 9.45501 6.91348 14.8405 9.29384 6.01893 8.98062 9.25558 5.90177 11.2516 numMergedOcc 0
13 mol 131 unq 2 iso 0 dist 8.99949 9.03202 9.51418 14.8405 9.29384 15.1974 10.5805 8.70296 16.5048 10.8127 numMergedOcc 0
14 mol 131 unq 3 iso 0 dist 8.99949 9.03202 9.51418 14.8405 9.29384 15.1974 8.98062 9.25558 5.70899 11.2516 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 5.57904 7.26771 8.6355 5.98568 5.53031 11.9544 12.4426 7.80532 14.1488 8.98004 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 8.3705 12.124 8.36117 9.80071 7.62942 9.08602 11.3703 9.26504 4.4994 6.0634 numMergedOcc 0
17 mol 195 unq 1 iso 0 dist 8.3705 6.91511 6.77578 9.80071 7.62942 8.18628 11.3703 9.26504 5.99784 6.0634 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 5.67917 10.761 9.90142 6.85179 6.66971 5.8333 5.11183 7.57812 10.3147 4.77308 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 5.67917 10.761 9.90142 6.85179 6.66971 5.8333 6.32646 8.69104 15.6823 10.2777 numMergedOcc 0
20 mol 240 unq 0 iso 0 dist 9.68888 13.7594 6.15305 17.2138 9.47583 9.75032 5.24149 6.68687 9.66581 15.5587 numMergedOcc 0
21 mol 240 unq 1 iso 0 dist 9.68888 5.59975 8.0951 17.2138 9.47583 12.9871 5.24149 6.68687 7.03039 15.5587 numMergedOcc 0
