REMARK Name = BDB027133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.717 -0.501 0.718 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.354 -1.329 1.831 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.573 -0.759 3.096 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.156 -1.506 4.122 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.522 -2.832 3.899 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.305 -3.414 2.652 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.724 -2.668 1.625 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.464 -0.605 -0.566 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -1.900 -0.202 -1.314 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.755 0.090 -0.509 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -4.506 -0.077 -1.837 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -8.304 1.979 -1.755 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -7.191 2.584 -2.349 0.00 0.00 +0.019 A ATOM 14 C LIG 1 -5.963 1.918 -2.380 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -5.836 0.639 -1.821 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -6.954 0.040 -1.225 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -8.182 0.706 -1.193 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 -10.580 3.221 -1.695 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 -9.563 2.664 -1.722 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.229 -0.900 0.475 0.00 0.00 +0.186 C ATOM 21 O LIG 1 0.189 -2.040 0.686 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.684 0.130 -0.063 0.00 0.00 +0.044 A ATOM 23 C LIG 1 2.077 -0.036 -0.384 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.552 1.188 -0.858 0.00 0.00 +0.048 A ATOM 25 C LIG 1 3.878 1.386 -1.261 0.00 0.00 +0.039 A ATOM 26 C LIG 1 4.755 0.297 -1.167 0.00 0.00 +0.039 A ATOM 27 C LIG 1 4.309 -0.950 -0.728 0.00 0.00 +0.014 A ATOM 28 N LIG 1 1.497 2.067 -0.842 0.00 0.00 -0.360 N ATOM 29 H LIG 1 1.554 3.031 -1.142 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 2.978 -1.123 -0.326 0.00 0.00 +0.011 A ATOM 31 C LIG 1 0.371 1.446 -0.367 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 6.157 0.493 -1.606 0.00 0.00 +0.247 C ATOM 33 N LIG 1 7.178 0.123 -0.752 0.00 0.00 -0.298 N ATOM 34 C LIG 1 7.071 -0.211 0.663 0.00 0.00 +0.108 C ATOM 35 C LIG 1 8.472 0.024 1.214 0.00 0.00 +0.020 C ATOM 36 C LIG 1 9.364 -0.269 0.015 0.00 0.00 +0.020 C ATOM 37 C LIG 1 8.564 0.309 -1.143 0.00 0.00 +0.108 C ATOM 38 O LIG 1 6.355 1.002 -2.708 0.00 0.00 -0.270 OA ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9