REMARK Name = BDB024210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.584 -1.434 0.495 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.034 -2.338 -0.643 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.242 -3.707 -0.410 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.662 -4.550 -1.441 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.880 -4.036 -2.717 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.681 -2.680 -2.964 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.262 -1.835 -1.935 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.240 -0.729 0.133 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.137 -1.386 0.636 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.262 -2.228 1.181 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.210 0.301 -0.543 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.208 -1.048 0.510 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.031 -1.903 1.153 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.364 -1.652 1.092 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.940 -0.583 0.413 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.060 0.278 -0.244 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.682 0.047 -0.196 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.380 -0.389 0.397 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.027 0.793 0.096 0.00 0.00 +0.117 A ATOM 20 N LIG 1 7.373 0.555 0.203 0.00 0.00 -0.266 N ATOM 21 N LIG 1 7.638 -0.712 0.589 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.436 -1.279 0.692 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 8.488 1.503 0.018 0.00 0.00 +0.055 C ATOM 24 C LIG 1 9.015 1.927 1.401 0.00 0.00 +0.036 C ATOM 25 C LIG 1 8.058 2.768 -0.754 0.00 0.00 +0.036 C ATOM 26 C LIG 1 9.628 0.838 -0.782 0.00 0.00 +0.036 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 -3.568 -0.391 0.858 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.684 0.226 0.052 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.865 -0.922 1.279 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -5.300 0.925 2.994 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -5.843 0.178 1.768 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -6.286 1.093 0.631 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -7.419 0.747 -0.125 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.845 1.549 -1.187 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -7.138 2.708 -1.517 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -6.005 3.058 -0.779 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.583 2.256 0.285 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -7.572 3.530 -2.608 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -7.925 4.192 -3.494 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10