0 mol 28 unq 0 iso 0 dist 9.56722 10.8301 8.53424 14.6111 9.64948 5.42412 10.0008 7.08766 3.70336 8.09862 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.56722 10.8301 8.53424 14.6111 9.64948 5.42412 7.55139 4.82199 5.1533 8.89114 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.56722 10.0008 7.08766 14.6111 9.64948 8.09862 10.8301 8.53424 3.70336 5.42412 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.56722 10.0008 7.08766 14.6111 9.64948 8.09862 7.55139 4.82199 3.0988 8.89114 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 9.56722 10.0008 7.08766 12.471 10.1805 8.97167 7.55139 4.82199 3.0988 8.8182 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 9.56722 7.55139 4.82199 14.6111 9.64948 8.89114 10.8301 8.53424 5.1533 5.42412 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 9.56722 7.55139 4.82199 14.6111 9.64948 8.89114 10.0008 7.08766 3.0988 8.09862 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 9.56722 7.55139 4.82199 12.471 10.1805 8.8182 10.0008 7.08766 3.0988 8.97167 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 9.48328 12.3188 8.96151 14.5828 7.0331 7.33788 16.8015 13.4006 4.78728 9.74351 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 9.48328 12.3188 8.96151 14.5828 7.0331 7.33788 16.5238 10.2447 5.61785 7.36877 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 9.48328 12.3188 8.96151 14.9724 10.4499 8.52681 16.8015 13.4006 4.78728 9.98769 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 6.77802 3.42062 9.05737 7.99735 9.165 7.90416 13.5492 14.5865 14.9999 9.74553 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 8.15861 3.81285 6.67137 9.37034 4.8069 8.67342 6.17121 7.04244 2.58673 8.60062 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 8.15861 3.81285 6.67137 6.60091 10.0178 5.73739 6.17121 7.04244 2.58673 5.16225 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 8.15861 6.17121 7.04244 9.37034 4.8069 8.60062 3.81285 6.67137 2.58673 8.67342 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 8.15861 6.17121 7.04244 6.60091 10.0178 5.16225 3.81285 6.67137 2.58673 5.73739 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 5.39386 3.75216 3.82583 9.9329 6.18105 6.52283 6.64419 8.25768 4.68125 7.97305 numMergedOcc 0
17 mol 147 unq 1 iso 0 dist 5.39386 6.64419 8.25768 9.9329 6.18105 7.97305 3.75216 3.82583 4.68125 6.52283 numMergedOcc 0
18 mol 147 unq 2 iso 0 dist 5.79819 3.75216 5.19116 9.9329 6.86255 6.52283 6.64419 8.71702 4.68125 7.97305 numMergedOcc 0
19 mol 147 unq 3 iso 0 dist 5.79819 6.64419 8.71702 9.9329 6.86255 7.97305 3.75216 5.19116 4.68125 6.52283 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 8.7499 5.97893 9.80479 7.91999 5.38659 8.18379 10.0567 10.9386 4.5066 8.70416 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 5.28746 9.23405 6.96692 8.65743 4.39553 9.90506 11.313 8.25286 5.76129 8.61077 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 5.28746 9.23405 6.96692 8.65743 4.39553 9.90506 13.005 9.9965 8.75066 9.11585 numMergedOcc 0
23 mol 266 unq 2 iso 0 dist 5.28746 11.313 8.25286 10.3532 7.63149 6.39822 13.005 9.9965 3.00605 5.36518 numMergedOcc 0
24 mol 266 unq 3 iso 0 dist 5.28746 11.313 8.25286 8.65743 4.39553 8.61077 9.23405 6.96692 5.76129 9.90506 numMergedOcc 0
25 mol 266 unq 4 iso 0 dist 5.28746 11.313 8.25286 8.65743 4.39553 8.61077 13.005 9.9965 3.00605 9.11585 numMergedOcc 0
26 mol 266 unq 5 iso 0 dist 5.28746 13.005 9.9965 10.3532 7.63149 5.36518 11.313 8.25286 3.00605 6.39822 numMergedOcc 0
27 mol 266 unq 6 iso 0 dist 5.28746 13.005 9.9965 8.65743 4.39553 9.11585 9.23405 6.96692 8.75066 9.90506 numMergedOcc 0
28 mol 266 unq 7 iso 0 dist 5.28746 13.005 9.9965 8.65743 4.39553 9.11585 11.313 8.25286 3.00605 8.61077 numMergedOcc 0
29 mol 281 unq 0 iso 0 dist 7.43535 3.86368 7.90368 12.6298 15.8562 9.06888 7.4282 9.46544 3.77058 6.62682 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 8.15636 11.4888 6.24487 4.75392 5.15725 7.82157 5.39384 11.983 13.001 8.39976 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 8.15636 11.4888 6.24487 4.75392 5.15725 7.82157 5.39384 11.983 13.001 8.39976 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 8.15636 11.4888 6.24487 4.75392 5.15725 7.82157 5.39384 11.983 13.001 8.39976 numMergedOcc 0
