REMARK Name = BDB023085 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.919 -0.556 -0.147 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -1.577 -0.422 -0.874 0.00 0.00 +0.166 C ATOM 3 C LIG 1 -0.552 -0.863 0.187 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -1.170 -0.506 1.554 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -2.569 0.045 1.218 0.00 0.00 +0.034 C ENDROOT BRANCH 1 10 ATOM 6 C LIG 1 -7.594 0.597 -0.812 0.00 0.00 +0.147 A ATOM 7 C LIG 1 -6.215 0.653 -1.110 0.00 0.00 +0.060 A ATOM 8 C LIG 1 -5.389 1.327 -2.052 0.00 0.00 +0.032 A ATOM 9 C LIG 1 -4.084 0.948 -1.825 0.00 0.00 +0.089 A ATOM 10 N LIG 1 -4.071 0.088 -0.756 0.00 0.00 -0.326 N ATOM 11 C LIG 1 -5.362 -0.093 -0.307 0.00 0.00 +0.146 A ATOM 12 N LIG 1 -5.715 -0.858 0.740 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -7.036 -0.816 0.962 0.00 0.00 +0.225 A ATOM 14 N LIG 1 -7.974 -0.143 0.274 0.00 0.00 -0.219 NA BRANCH 6 16 ATOM 15 C LIG 1 -8.664 0.834 -2.935 0.00 0.00 +0.151 C ATOM 16 N LIG 1 -8.597 1.301 -1.544 0.00 0.00 -0.256 N BRANCH 16 17 ATOM 17 N LIG 1 -9.866 1.391 -0.879 0.00 0.00 -0.253 NA ATOM 18 H LIG 1 -10.044 0.482 -0.433 0.00 0.00 +0.141 HD ATOM 19 H LIG 1 -9.752 2.022 -0.080 0.00 0.00 +0.141 HD ENDBRANCH 16 17 ENDBRANCH 6 16 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 -1.490 -1.244 -2.033 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -1.187 -2.116 -1.703 0.00 0.00 +0.210 HD ENDBRANCH 2 20 BRANCH 3 22 ATOM 22 O LIG 1 -0.406 -2.287 0.092 0.00 0.00 -0.389 OA ATOM 23 H LIG 1 0.409 -2.512 0.579 0.00 0.00 +0.210 HD ENDBRANCH 3 22 BRANCH 4 24 ATOM 24 C LIG 1 -0.358 0.520 2.363 0.00 0.00 +0.011 C BRANCH 24 25 ATOM 25 C LIG 1 0.716 -0.101 3.269 0.00 0.00 +0.035 C BRANCH 25 26 ATOM 26 C LIG 1 1.828 -0.822 2.553 0.00 0.00 -0.045 A ATOM 27 C LIG 1 2.720 -0.117 1.727 0.00 0.00 +0.032 A ATOM 28 C LIG 1 3.752 -0.747 1.043 0.00 0.00 +0.073 A ATOM 29 C LIG 1 3.904 -2.137 1.204 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.939 -2.763 0.505 0.00 0.00 +0.013 A ATOM 31 C LIG 1 5.773 -2.005 -0.310 0.00 0.00 +0.044 A ATOM 32 C LIG 1 5.560 -0.637 -0.402 0.00 0.00 +0.119 A ATOM 33 C LIG 1 3.032 -2.855 2.039 0.00 0.00 +0.010 A ATOM 34 N LIG 1 4.561 -0.017 0.255 0.00 0.00 -0.232 NA ATOM 35 C LIG 1 2.003 -2.198 2.713 0.00 0.00 +0.004 A BRANCH 32 36 ATOM 36 N LIG 1 6.347 0.183 -1.212 0.00 0.00 -0.329 N ATOM 37 H LIG 1 5.947 1.112 -1.083 0.00 0.00 +0.147 HD BRANCH 36 38 ATOM 38 C LIG 1 7.759 0.180 -0.859 0.00 0.00 +0.106 C BRANCH 38 39 ATOM 39 C LIG 1 8.443 1.236 -1.674 0.00 0.00 +0.006 C ATOM 40 C LIG 1 9.693 1.910 -1.167 0.00 0.00 +0.005 C ATOM 41 C LIG 1 8.406 2.683 -1.248 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 11