REMARK Name = BDB018115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.828 -0.149 1.326 0.00 0.00 +0.063 C ATOM 2 C LIG 1 2.731 -0.181 2.400 0.00 0.00 +0.030 C ATOM 3 C LIG 1 1.387 0.267 1.836 0.00 0.00 +0.108 C ATOM 4 N LIG 1 1.016 -0.474 0.629 0.00 0.00 -0.301 N ATOM 5 C LIG 1 -0.310 -0.641 0.215 0.00 0.00 +0.216 C ATOM 6 O LIG 1 -0.591 -0.975 -0.936 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 2.045 -0.572 -0.405 0.00 0.00 +0.108 C ATOM 8 C LIG 1 3.392 -1.024 0.149 0.00 0.00 +0.030 C ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 5.156 -0.643 1.898 0.00 0.00 +0.166 C ATOM 10 O LIG 1 5.205 -1.290 2.944 0.00 0.00 -0.292 OA BRANCH 9 13 ATOM 11 C LIG 1 7.744 0.733 -0.568 0.00 0.00 +0.060 A ATOM 12 C LIG 1 6.513 0.496 0.068 0.00 0.00 +0.026 A ATOM 13 C LIG 1 6.438 -0.353 1.178 0.00 0.00 +0.018 A ATOM 14 C LIG 1 7.612 -0.957 1.651 0.00 0.00 +0.011 A ATOM 15 C LIG 1 8.838 -0.725 1.024 0.00 0.00 +0.001 A ATOM 16 C LIG 1 8.905 0.118 -0.085 0.00 0.00 +0.015 A BRANCH 11 17 ATOM 17 C LIG 1 7.753 1.643 -1.746 0.00 0.00 +0.339 C ATOM 18 O LIG 1 6.747 2.184 -2.176 0.00 0.00 -0.245 OA BRANCH 17 20 ATOM 19 C LIG 1 9.090 2.631 -3.385 0.00 0.00 +0.280 C ATOM 20 O LIG 1 9.005 1.771 -2.248 0.00 0.00 -0.464 OA ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 9 13 ENDBRANCH 1 9 BRANCH 5 21 ATOM 21 C LIG 1 -1.393 -0.403 1.269 0.00 0.00 +0.102 C BRANCH 21 22 ATOM 22 C LIG 1 -2.868 -0.670 0.845 0.00 0.00 -0.020 C ATOM 23 C LIG 1 -3.048 -2.141 0.422 0.00 0.00 +0.012 C ATOM 24 C LIG 1 -3.742 -0.436 2.101 0.00 0.00 +0.012 C BRANCH 22 25 ATOM 25 C LIG 1 -3.288 0.330 -0.266 0.00 0.00 +0.081 C BRANCH 25 26 ATOM 26 C LIG 1 -4.689 0.125 -0.802 0.00 0.00 +0.111 A ATOM 27 N LIG 1 -4.807 -0.738 -1.856 0.00 0.00 -0.310 N ATOM 28 H LIG 1 -3.992 -1.193 -2.246 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -6.005 -1.038 -2.449 0.00 0.00 +0.259 A ATOM 30 O LIG 1 -6.090 -1.814 -3.394 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -7.184 -0.368 -1.875 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -6.978 0.502 -0.797 0.00 0.00 +0.081 A ATOM 33 C LIG 1 -8.091 1.150 -0.231 0.00 0.00 -0.024 A ATOM 34 C LIG 1 -9.373 0.916 -0.757 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -9.556 0.046 -1.834 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.916 2.090 0.929 0.00 0.00 +0.046 C ATOM 37 C LIG 1 -8.460 -0.600 -2.397 0.00 0.00 +0.015 A ATOM 38 N LIG 1 -5.694 0.738 -0.268 0.00 0.00 -0.233 NA ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 8