REMARK Name = BDB000255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.919 -0.264 -0.277 0.00 0.00 +0.010 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.737 -1.528 -0.686 0.00 0.00 -0.013 C ATOM 3 C LIG 1 1.521 -2.713 0.259 0.00 0.00 +0.007 C ATOM 4 C LIG 1 1.558 -1.955 -2.144 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -0.553 -0.173 -0.767 0.00 0.00 +0.026 C BRANCH 5 6 ATOM 6 C LIG 1 -1.561 -1.112 -0.065 0.00 0.00 +0.080 C BRANCH 6 7 ATOM 7 N LIG 1 -1.680 -2.385 -0.785 0.00 0.00 -0.325 NA ATOM 8 H LIG 1 -2.408 -2.956 -0.354 0.00 0.00 +0.119 HD ATOM 9 H LIG 1 -1.996 -2.220 -1.740 0.00 0.00 +0.119 HD ENDBRANCH 6 7 BRANCH 6 10 ATOM 10 C LIG 1 -2.958 -0.444 0.149 0.00 0.00 +0.132 C BRANCH 10 11 ATOM 11 O LIG 1 -2.832 0.725 0.963 0.00 0.00 -0.390 OA ATOM 12 H LIG 1 -2.306 0.486 1.747 0.00 0.00 +0.210 HD ENDBRANCH 10 11 BRANCH 10 13 ATOM 13 C LIG 1 -3.671 -0.048 -1.157 0.00 0.00 +0.045 C BRANCH 13 14 ATOM 14 C LIG 1 -5.048 0.602 -0.917 0.00 0.00 +0.074 C ATOM 15 C LIG 1 -5.624 1.127 -2.232 0.00 0.00 +0.017 C BRANCH 14 18 ATOM 16 N LIG 1 -7.162 0.222 0.224 0.00 0.00 -0.315 N ATOM 17 H LIG 1 -7.095 1.217 0.406 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 -6.035 -0.384 -0.297 0.00 0.00 +0.216 C ATOM 19 O LIG 1 -5.858 -1.599 -0.284 0.00 0.00 -0.276 OA BRANCH 16 20 ATOM 20 C LIG 1 -8.127 -0.547 0.981 0.00 0.00 +0.104 C BRANCH 20 21 ATOM 21 C LIG 1 -9.450 0.193 1.171 0.00 0.00 +0.018 C BRANCH 21 23 ATOM 22 C LIG 1 -8.851 1.294 3.399 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -9.366 1.491 1.981 0.00 0.00 -0.002 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 14 18 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 24 ATOM 24 C LIG 1 1.651 1.022 -0.751 0.00 0.00 +0.108 C BRANCH 24 25 ATOM 25 N LIG 1 2.925 1.219 -0.091 0.00 0.00 -0.311 N ATOM 26 H LIG 1 3.760 0.822 -0.509 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 3.025 1.702 1.195 0.00 0.00 +0.248 C ATOM 28 O LIG 1 2.049 2.100 1.827 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 4.391 1.742 1.813 0.00 0.00 +0.078 A ATOM 30 C LIG 1 5.516 1.048 1.317 0.00 0.00 +0.133 A ATOM 31 C LIG 1 6.747 1.192 1.975 0.00 0.00 +0.046 A ATOM 32 C LIG 1 6.859 1.980 3.124 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.745 2.641 3.629 0.00 0.00 +0.001 A ATOM 34 C LIG 1 4.520 2.524 2.976 0.00 0.00 +0.017 A BRANCH 30 35 ATOM 35 O LIG 1 5.353 0.284 0.190 0.00 0.00 -0.491 OA BRANCH 35 36 ATOM 36 C LIG 1 6.311 -0.734 -0.106 0.00 0.00 +0.231 C BRANCH 36 37 ATOM 37 C LIG 1 7.303 -0.227 -1.144 0.00 0.00 +0.069 C BRANCH 37 38 ATOM 38 C LIG 1 8.310 -1.304 -1.529 0.00 0.00 +0.163 C BRANCH 38 39 ATOM 39 O LIG 1 9.329 -0.788 -2.385 0.00 0.00 -0.383 OA ATOM 40 C LIG 1 8.908 -0.625 -3.733 0.00 0.00 +0.193 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 20