REMARK Name = BDB024301 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.057 -2.063 -0.958 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.414 -2.543 0.444 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.016 -3.802 0.609 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.355 -4.271 1.879 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.107 -3.485 3.002 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.530 -2.225 2.855 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.191 -1.754 1.586 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.313 -1.766 -0.387 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.145 -2.613 0.137 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.759 -1.205 -1.065 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.735 -0.185 -1.753 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.222 -0.246 -0.100 0.00 0.00 +0.048 A ATOM 13 C LIG 1 3.196 0.355 -0.833 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.921 -0.100 -0.951 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.605 -1.232 -0.314 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.539 -1.923 0.445 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.843 -1.424 0.546 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 7.633 0.827 0.843 0.00 0.00 +0.137 C ATOM 19 C LIG 1 6.543 -0.259 0.859 0.00 0.00 +0.136 C ATOM 20 N LIG 1 5.493 0.263 -0.018 0.00 0.00 -0.326 N ATOM 21 C LIG 1 5.955 1.439 -0.749 0.00 0.00 +0.108 C ATOM 22 C LIG 1 7.467 1.429 -0.548 0.00 0.00 +0.052 C BRANCH 18 24 ATOM 23 C LIG 1 9.943 1.229 1.206 0.00 0.00 +0.194 C ATOM 24 O LIG 1 8.921 0.254 1.047 0.00 0.00 -0.378 OA ENDBRANCH 18 24 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -3.189 -1.425 -1.681 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -2.781 -1.037 -2.538 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.804 -0.306 -0.950 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.780 0.500 -1.843 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -5.940 -0.358 -2.365 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -5.287 1.730 -1.100 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -4.852 3.005 -1.491 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.292 4.147 -0.816 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.172 4.029 0.263 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.607 2.764 0.665 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.165 1.622 -0.010 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.623 5.200 0.957 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.989 6.146 1.520 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10