REMARK Name = BDB013877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.144 -1.176 0.551 0.00 0.00 +0.110 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -4.330 1.001 2.553 0.00 0.00 +0.044 C ATOM 3 C LIG 1 -3.804 0.642 1.194 0.00 0.00 -0.050 A ATOM 4 C LIG 1 -2.431 0.424 1.000 0.00 0.00 +0.011 A ATOM 5 C LIG 1 -1.913 0.106 -0.269 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -0.429 -0.159 -0.467 0.00 0.00 +0.043 C ATOM 7 C LIG 1 -0.159 -0.645 -1.901 0.00 0.00 +0.051 C ATOM 8 C LIG 1 -1.019 0.131 -2.878 0.00 0.00 +0.229 C ATOM 9 O LIG 1 -2.403 -0.133 -2.650 0.00 0.00 -0.492 OA ATOM 10 C LIG 1 -2.795 0.091 -1.357 0.00 0.00 +0.124 A ATOM 11 C LIG 1 -4.162 0.301 -1.173 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -4.665 0.579 0.096 0.00 0.00 +0.007 A ENDBRANCH 1 6 BRANCH 1 13 ATOM 13 N LIG 1 1.592 -1.370 0.418 0.00 0.00 -0.341 N ATOM 14 H LIG 1 1.839 -1.827 -0.470 0.00 0.00 +0.146 HD BRANCH 13 15 ATOM 15 C LIG 1 2.499 -0.358 0.752 0.00 0.00 +0.060 A ATOM 16 C LIG 1 3.817 -0.360 0.258 0.00 0.00 +0.082 A ATOM 17 C LIG 1 4.741 0.628 0.620 0.00 0.00 +0.036 A ATOM 18 C LIG 1 4.339 1.583 1.529 0.00 0.00 +0.111 A ATOM 19 N LIG 1 3.116 1.599 2.087 0.00 0.00 -0.261 NA ATOM 20 C LIG 1 2.241 0.635 1.696 0.00 0.00 +0.134 A BRANCH 16 21 ATOM 21 C LIG 1 4.235 -1.388 -0.720 0.00 0.00 +0.339 C ATOM 22 O LIG 1 3.553 -1.711 -1.677 0.00 0.00 -0.245 OA BRANCH 21 23 ATOM 23 O LIG 1 5.428 -1.946 -0.422 0.00 0.00 -0.477 OA ATOM 24 H LIG 1 5.752 -1.746 0.477 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 16 21 ENDBRANCH 13 15 ENDBRANCH 1 13 TORSDOF 5