REMARK Name = BDB014279 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.691 -0.234 0.065 0.00 0.00 +0.086 A ATOM 2 C LIG 1 2.456 -0.159 -0.585 0.00 0.00 +0.080 A ATOM 3 C LIG 1 2.251 -0.797 -1.802 0.00 0.00 +0.090 A ATOM 4 C LIG 1 0.923 -0.533 -2.205 0.00 0.00 +0.060 A ATOM 5 C LIG 1 0.316 0.230 -1.220 0.00 0.00 +0.105 A ATOM 6 N LIG 1 3.208 -1.520 -2.428 0.00 0.00 -0.253 NA ATOM 7 C LIG 1 4.393 -1.582 -1.786 0.00 0.00 +0.112 A ATOM 8 N LIG 1 1.281 0.478 -0.270 0.00 0.00 -0.349 N ATOM 9 H LIG 1 1.153 1.053 0.555 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 4.684 -0.978 -0.574 0.00 0.00 +0.037 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -1.028 0.770 -1.203 0.00 0.00 +0.263 C ATOM 12 N LIG 1 -1.639 0.920 0.051 0.00 0.00 -0.296 N ATOM 13 C LIG 1 -1.530 -0.112 1.086 0.00 0.00 +0.108 C ATOM 14 C LIG 1 -2.682 -1.112 0.967 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -4.037 -0.403 0.982 0.00 0.00 +0.003 C ATOM 16 C LIG 1 -4.091 0.713 -0.064 0.00 0.00 +0.019 C ATOM 17 C LIG 1 -2.900 1.657 0.090 0.00 0.00 +0.108 C ATOM 18 O LIG 1 -1.586 1.122 -2.240 0.00 0.00 -0.268 OA ENDBRANCH 5 11 BRANCH 1 20 ATOM 19 O LIG 1 5.047 0.379 1.942 0.00 0.00 -0.245 OA ATOM 20 C LIG 1 3.983 0.418 1.353 0.00 0.00 +0.339 C BRANCH 20 21 ATOM 21 O LIG 1 2.931 1.092 1.859 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 3.291 1.466 2.693 0.00 0.00 +0.295 HD ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 3