REMARK Name = BDB024320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.777 2.336 -0.046 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.431 3.792 -0.355 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.574 4.755 0.659 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.249 6.093 0.426 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.769 6.487 -0.820 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.608 5.545 -1.832 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.931 4.206 -1.602 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.561 1.629 0.602 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.361 1.215 -0.343 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.079 1.358 -1.304 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.490 1.497 1.821 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.557 0.544 -0.094 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.944 0.266 1.161 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 3.117 -0.392 1.335 0.00 0.00 +0.123 A ATOM 15 C LIG 1 3.949 -0.805 0.302 0.00 0.00 +0.022 A ATOM 16 C LIG 1 3.524 -0.507 -0.993 0.00 0.00 +0.015 A ATOM 17 C LIG 1 2.321 0.173 -1.195 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.195 -1.508 0.527 0.00 0.00 +0.114 A ATOM 19 N LIG 1 6.022 -1.929 -0.485 0.00 0.00 -0.129 NA ATOM 20 N LIG 1 7.070 -2.535 0.057 0.00 0.00 -0.065 NA ATOM 21 N LIG 1 6.908 -2.499 1.388 0.00 0.00 -0.254 N ATOM 22 C LIG 1 7.897 -3.085 2.252 0.00 0.00 +0.174 C ATOM 23 C LIG 1 5.751 -1.868 1.736 0.00 0.00 +0.138 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.248 1.605 -1.270 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.884 2.257 -1.739 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.069 0.423 -0.921 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -1.572 -1.346 -1.999 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -2.291 -0.900 -0.720 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -3.220 -1.989 -0.196 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -3.069 -2.448 1.122 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.912 -3.437 1.636 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.921 -3.981 0.838 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.084 -3.529 -0.474 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.241 -2.538 -0.987 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.786 -4.997 1.362 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.490 -5.818 1.784 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9