REMARK Name = BDB018406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.081 -0.041 -0.888 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.872 0.181 0.081 0.00 0.00 +0.123 A ATOM 3 N LIG 1 1.900 -0.709 -0.141 0.00 0.00 -0.238 N ATOM 4 N LIG 1 1.690 -1.405 -1.295 0.00 0.00 -0.174 NA ATOM 5 C LIG 1 0.482 -1.027 -1.711 0.00 0.00 +0.143 A ENDROOT BRANCH 1 12 ATOM 6 C LIG 1 -2.967 2.688 -3.651 0.00 0.00 +0.152 C ATOM 7 N LIG 1 -2.778 2.002 -2.383 0.00 0.00 -0.318 N ATOM 8 C LIG 1 -3.749 2.118 -1.398 0.00 0.00 +0.251 A ATOM 9 O LIG 1 -4.791 2.757 -1.504 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -3.469 1.393 -0.137 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -2.347 0.670 0.044 0.00 0.00 -0.030 A ATOM 12 C LIG 1 -1.332 0.642 -1.030 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -1.607 1.293 -2.179 0.00 0.00 +0.097 A BRANCH 11 14 ATOM 14 C LIG 1 -2.084 -0.074 1.298 0.00 0.00 +0.020 C ATOM 15 C LIG 1 -3.175 -0.919 1.916 0.00 0.00 +0.009 C ATOM 16 C LIG 1 -1.995 -1.582 1.276 0.00 0.00 +0.009 C ENDBRANCH 11 14 ENDBRANCH 1 12 BRANCH 3 17 ATOM 17 C LIG 1 3.090 -0.941 0.619 0.00 0.00 +0.083 A ATOM 18 C LIG 1 3.267 -0.536 1.956 0.00 0.00 +0.077 A ATOM 19 C LIG 1 4.497 -0.787 2.596 0.00 0.00 +0.021 A ATOM 20 C LIG 1 5.534 -1.445 1.936 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.353 -1.873 0.628 0.00 0.00 +0.002 A ATOM 22 C LIG 1 4.142 -1.630 -0.023 0.00 0.00 +0.029 A BRANCH 18 23 ATOM 23 C LIG 1 2.244 0.052 2.771 0.00 0.00 +0.101 C ATOM 24 N LIG 1 1.430 0.525 3.450 0.00 0.00 -0.191 NA ENDBRANCH 18 23 ENDBRANCH 3 17 TORSDOF 4