0 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 10.5071 8.68293 13.5125 9.76946 4.73237 10.6838 6.09937 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.95165 4.46394 5.96346 9.80646 6.84216 6.76736 10.8687 5.8961 9.52695 9.07476 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 5.7435 4.08268 4.30695 8.98102 6.58046 8.84131 10.5034 5.71129 9.84802 9.04534 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 5.7435 4.24301 6.35398 8.98102 6.58046 6.51674 10.5034 5.71129 9.78754 9.04534 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.58793 3.88757 7.54568 12.1387 8.04242 13.5973 12.1173 5.8457 12.8003 9.86038 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.4545 12.49 8.18107 8.46944 5.42067 4.30488 9.59503 4.73713 5.93987 5.04673 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.4545 4.1125 5.9465 8.46944 5.42067 5.09449 9.59503 4.73713 7.7913 5.04673 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 7.01176 12.49 9.8859 8.46944 7.36435 4.30488 9.59503 4.36394 5.93987 5.04673 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 7.01176 4.1125 6.97962 8.46944 7.36435 5.09449 9.59503 4.36394 7.7913 5.04673 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.35636 9.74143 7.02927 12.1455 7.44558 9.63255 17.5036 11.1132 14.7325 6.3323 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 8.35636 9.51381 6.60933 12.1455 7.44558 4.0719 17.5036 11.1132 8.48774 6.3323 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 5.96967 7.02367 5.40648 9.64281 14.0364 9.09263 7.08403 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 8.89481 9.01097 9.66219 5.96967 7.02367 3.52111 9.64281 14.0364 5.37302 7.08403 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 6.40546 5.73999 8.99399 3.80816 7.60162 5.77063 11.3476 15.0071 13.2393 8.42225 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 6.78949 4.21285 8.88537 6.80573 4.42563 8.90201 10.8894 4.42285 11.999 6.80798 numMergedOcc 0
15 mol 122 unq 1 iso 0 dist 6.78949 6.93382 9.23819 6.80573 4.42563 11.3935 10.8894 4.42285 11.7617 6.80798 numMergedOcc 0
16 mol 122 unq 2 iso 0 dist 9.40018 9.33734 8.88537 12.9961 4.42563 8.90201 11.3932 4.42285 11.999 6.80798 numMergedOcc 0
17 mol 122 unq 3 iso 0 dist 9.40018 4.81033 9.23819 12.9961 4.42563 11.3935 11.3932 4.42285 11.7617 6.80798 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 9.63873 6.09134 9.07943 13.5948 8.16252 9.10855 9.04757 4.12904 9.62943 9.37245 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.58911 12.0718 6.22122 3.55808 9.70481 13.4378 5.75545 8.58814 10.9891 8.17301 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 8.5119 4.87337 6.1951 6.03974 6.1896 5.34495 9.57814 4.94196 9.68811 7.68062 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 9.55777 12.979 7.67576 9.08651 5.1609 3.98604 10.9808 4.82768 5.89818 4.90656 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 9.55777 4.05539 9.82371 9.08651 5.1609 7.99695 10.9808 4.82768 9.32543 4.90656 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 9.11256 3.93066 9.55668 3.76405 8.08965 6.82702 8.92054 5.23741 10.8785 8.1174 numMergedOcc 0
24 mol 235 unq 1 iso 0 dist 7.08539 13.0408 9.55668 12.0808 8.08965 6.82702 12.1257 5.23741 10.8785 8.1174 numMergedOcc 0
