REMARK Name = BDB011510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.953 0.203 0.408 0.00 0.00 +0.200 C ATOM 2 C LIG 1 -2.246 -0.553 -0.898 0.00 0.00 +0.200 C ATOM 3 C LIG 1 -3.740 -0.795 -1.121 0.00 0.00 +0.054 C ATOM 4 O LIG 1 -1.558 -1.805 -1.062 0.00 0.00 -0.485 OA ATOM 5 C LIG 1 -1.424 -2.532 0.089 0.00 0.00 +0.143 A ATOM 6 C LIG 1 -0.517 -2.163 1.094 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -0.342 -3.034 2.177 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.053 -4.237 2.251 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -1.948 -4.600 1.241 0.00 0.00 -0.047 A ATOM 10 C LIG 1 -2.671 -5.913 1.297 0.00 0.00 +0.044 C ATOM 11 N LIG 1 0.199 -0.930 1.022 0.00 0.00 -0.262 N ATOM 12 C LIG 1 -2.109 -3.748 0.145 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -0.431 0.253 0.644 0.00 0.00 +0.244 C ATOM 14 O LIG 1 0.159 1.337 0.556 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -3.594 2.005 0.934 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -2.415 1.598 0.357 0.00 0.00 -0.300 N ATOM 17 H LIG 1 -1.695 2.280 0.137 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -4.410 1.198 1.378 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -3.860 3.535 0.895 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -2.683 4.365 1.409 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -5.060 3.828 3.034 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -5.139 3.857 1.577 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -5.810 3.135 1.293 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 11 24 ATOM 24 C LIG 1 1.641 -0.911 1.330 0.00 0.00 +0.153 C BRANCH 24 25 ATOM 25 C LIG 1 2.533 -1.095 0.101 0.00 0.00 +0.020 A ATOM 26 C LIG 1 3.168 0.010 -0.561 0.00 0.00 -0.010 A ATOM 27 C LIG 1 3.929 -0.240 -1.733 0.00 0.00 -0.017 A ATOM 28 C LIG 1 4.559 0.810 -2.424 0.00 0.00 +0.023 A ATOM 29 C LIG 1 4.469 2.131 -1.977 0.00 0.00 +0.060 A ATOM 30 C LIG 1 3.744 2.401 -0.821 0.00 0.00 +0.015 A ATOM 31 C LIG 1 4.072 -1.544 -2.212 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.490 -2.618 -1.547 0.00 0.00 +0.046 A ATOM 33 C LIG 1 3.112 1.359 -0.129 0.00 0.00 +0.010 A ATOM 34 C LIG 1 2.725 -2.405 -0.402 0.00 0.00 +0.125 A BRANCH 29 35 ATOM 35 C LIG 1 5.161 3.191 -2.759 0.00 0.00 +0.339 C ATOM 36 O LIG 1 5.802 2.970 -3.774 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 4.977 4.407 -2.186 0.00 0.00 -0.464 OA ATOM 38 C LIG 1 5.612 5.479 -2.885 0.00 0.00 +0.280 C ENDBRANCH 35 37 ENDBRANCH 29 35 BRANCH 34 39 ATOM 39 O LIG 1 2.189 -3.436 0.327 0.00 0.00 -0.495 OA ATOM 40 C LIG 1 1.888 -4.630 -0.390 0.00 0.00 +0.277 C ENDBRANCH 34 39 ENDBRANCH 24 25 ENDBRANCH 11 24 TORSDOF 8