REMARK Name = BDB024793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.004 -2.577 -0.423 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.400 -1.792 0.575 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.236 -1.458 1.747 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.469 -2.688 2.639 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.689 -0.328 2.634 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.037 0.747 1.791 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.911 0.101 1.039 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.658 0.728 0.883 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.232 1.945 1.352 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.006 2.095 0.920 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.414 0.975 0.230 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.646 0.096 0.174 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.810 -1.165 -0.403 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.061 -1.776 -0.253 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.118 -1.162 0.437 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.103 -3.112 -0.291 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -4.947 -3.391 -2.627 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -4.305 -2.646 -1.592 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.727 0.726 -0.342 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 2.598 -0.122 0.598 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 3.993 -0.276 0.143 0.00 0.00 -0.301 NA ATOM 22 C LIG 1 4.828 -0.932 1.163 0.00 0.00 +0.085 C ATOM 23 C LIG 1 5.056 -2.421 0.904 0.00 0.00 +0.021 C ATOM 24 C LIG 1 5.750 -2.663 -0.445 0.00 0.00 +0.017 C ATOM 25 C LIG 1 5.450 -1.530 -1.444 0.00 0.00 +0.021 C ATOM 26 C LIG 1 4.076 -0.918 -1.181 0.00 0.00 +0.085 C BRANCH 24 27 ATOM 27 C LIG 1 7.260 -2.855 -0.276 0.00 0.00 +0.159 C BRANCH 27 28 ATOM 28 O LIG 1 7.846 -3.168 -1.533 0.00 0.00 -0.395 OA ATOM 29 H LIG 1 8.802 -3.271 -1.385 0.00 0.00 +0.209 HD ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 0.836 3.315 1.168 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 0.995 4.240 -0.047 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 -0.244 4.513 -0.772 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -0.520 3.767 -1.921 0.00 0.00 +0.251 A ATOM 34 O LIG 1 0.239 2.934 -2.414 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -1.831 4.035 -2.573 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -2.672 4.937 -2.052 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -2.324 5.652 -0.851 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -1.149 5.424 -0.253 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9