REMARK Name = BDB052460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.223 -0.904 -1.159 0.00 0.00 +0.194 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.940 0.019 -1.323 0.00 0.00 +0.255 C ATOM 3 N LIG 1 -0.962 -0.373 -0.478 0.00 0.00 -0.203 NA ATOM 4 O LIG 1 -1.943 -0.201 -2.536 0.00 0.00 -0.272 OA BRANCH 2 5 ATOM 5 C LIG 1 -3.132 0.685 -0.558 0.00 0.00 +0.192 C ATOM 6 C LIG 1 -4.486 0.832 -1.384 0.00 0.00 +0.027 C BRANCH 5 9 ATOM 7 C LIG 1 -1.937 4.171 0.254 0.00 0.00 +0.096 C ATOM 8 C LIG 1 -2.273 2.867 -0.524 0.00 0.00 +0.242 C ATOM 9 N LIG 1 -2.880 1.924 0.168 0.00 0.00 -0.204 NA ATOM 10 O LIG 1 -1.918 3.006 -1.683 0.00 0.00 -0.273 OA ENDBRANCH 5 9 ENDBRANCH 2 5 ENDBRANCH 1 3 BRANCH 1 11 ATOM 11 C LIG 1 0.039 -2.291 -1.768 0.00 0.00 +0.275 C ATOM 12 O LIG 1 0.836 -2.818 -2.546 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 -1.051 -3.175 -1.315 0.00 0.00 -0.087 NA ENDBRANCH 1 11 BRANCH 1 14 ATOM 14 C LIG 1 1.310 -0.962 -0.158 0.00 0.00 +0.027 C BRANCH 14 15 ATOM 15 C LIG 1 2.426 -0.993 0.903 0.00 0.00 +0.028 C BRANCH 15 16 ATOM 16 C LIG 1 3.515 -0.983 1.992 0.00 0.00 +0.129 C BRANCH 16 17 ATOM 17 N LIG 1 4.443 -0.945 2.961 0.00 0.00 -0.234 NA ATOM 18 C LIG 1 4.242 -0.147 3.957 0.00 0.00 +0.284 C ATOM 19 N LIG 1 5.257 -0.108 5.010 0.00 0.00 -0.104 NA ATOM 20 N LIG 1 3.072 0.718 4.107 0.00 0.00 -0.104 NA ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 1 14 TORSDOF 8