0 mol 11 unq 0 iso 0 dist 9.04534 5.71129 6.58046 9.84802 8.84131 4.30695 9.78754 6.51674 6.35398 7.0964 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 9.04534 5.71129 6.58046 9.78754 6.51674 6.35398 9.84802 8.84131 4.30695 7.0964 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.6586 13.2653 8.23075 13.5984 12.2271 8.70827 18.4559 12.2839 6.73939 15.0804 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 8.6586 13.2653 8.23075 18.4559 12.2839 6.73939 13.5984 12.2271 8.70827 15.0804 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.04673 4.73713 5.42067 5.93987 4.30488 8.18107 7.7913 5.09449 5.9465 9.38827 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 5.04673 4.73713 5.42067 7.7913 5.09449 5.9465 5.93987 4.30488 8.18107 9.38827 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 5.04673 4.36394 7.36435 5.93987 4.30488 9.8859 7.7913 5.09449 6.97962 9.38827 numMergedOcc 0
7 mol 92 unq 1 iso 1 dist 5.04673 4.36394 7.36435 7.7913 5.09449 6.97962 5.93987 4.30488 9.8859 9.38827 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 6.3323 11.1132 7.44558 14.7325 9.63255 7.02927 8.48774 4.0719 6.60933 10.6137 numMergedOcc 0
9 mol 109 unq 0 iso 1 dist 6.3323 11.1132 7.44558 8.48774 4.0719 6.60933 14.7325 9.63255 7.02927 10.6137 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 7.08403 14.0364 7.02367 9.09263 5.40648 8.8822 5.37302 3.52111 9.66219 4.09459 numMergedOcc 0
11 mol 113 unq 0 iso 1 dist 7.08403 14.0364 7.02367 5.37302 3.52111 9.66219 9.09263 5.40648 8.8822 4.09459 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 6.01857 11.1675 7.42146 16.3287 10.5934 7.70232 17.054 11.9806 7.4671 4.04941 numMergedOcc 0
13 mol 117 unq 0 iso 1 dist 6.01857 11.1675 7.42146 17.054 11.9806 7.4671 16.3287 10.5934 7.70232 4.04941 numMergedOcc 0
14 mol 117 unq 1 iso 0 dist 9.30187 6.7814 7.78789 12.6334 6.05048 7.70232 10.3116 4.42665 7.4671 4.04941 numMergedOcc 0
15 mol 117 unq 1 iso 1 dist 9.30187 6.7814 7.78789 10.3116 4.42665 7.4671 12.6334 6.05048 7.70232 4.04941 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 6.80798 4.42285 4.42563 11.7617 11.3935 9.23819 11.999 8.90201 8.88537 5.03547 numMergedOcc 0
17 mol 122 unq 0 iso 1 dist 6.80798 4.42285 4.42563 11.999 8.90201 8.88537 11.7617 11.3935 9.23819 5.03547 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 7.49754 7.78293 8.82761 14.0634 15.5804 7.37798 11.6475 6.78109 7.73322 13.2902 numMergedOcc 0
19 mol 213 unq 0 iso 1 dist 7.49754 7.78293 8.82761 11.6475 6.78109 7.73322 14.0634 15.5804 7.37798 13.2902 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 4.90656 4.82768 5.1609 5.89818 3.98604 7.67576 9.32543 7.99695 9.82371 11.3283 numMergedOcc 0
21 mol 222 unq 0 iso 1 dist 4.90656 4.82768 5.1609 9.32543 7.99695 9.82371 5.89818 3.98604 7.67576 11.3283 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 7.69237 10.902 9.7255 10.1724 4.50383 7.41478 17.8986 12.5736 9.20822 8.65228 numMergedOcc 0
23 mol 237 unq 0 iso 1 dist 7.69237 10.902 9.7255 17.8986 12.5736 9.20822 10.1724 4.50383 7.41478 8.65228 numMergedOcc 0
