REMARK Name = BDB031530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.422 1.959 -1.484 0.00 0.00 +0.028 C ATOM 2 C LIG 1 0.273 0.514 -1.943 0.00 0.00 +0.096 C ATOM 3 N LIG 1 -0.821 0.164 -2.884 0.00 0.00 -0.288 NA ATOM 4 C LIG 1 0.090 0.355 -4.028 0.00 0.00 +0.131 C ATOM 5 C LIG 1 1.284 0.112 -3.067 0.00 0.00 +0.204 C ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -1.964 1.070 -2.933 0.00 0.00 +0.121 C BRANCH 6 7 ATOM 7 C LIG 1 -2.906 0.871 -1.772 0.00 0.00 -0.013 A ATOM 8 C LIG 1 -3.362 1.949 -1.004 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -4.254 1.708 0.035 0.00 0.00 +0.068 A ATOM 10 C LIG 1 -4.675 0.405 0.274 0.00 0.00 +0.088 A ATOM 11 C LIG 1 -5.611 0.155 1.362 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -6.094 1.134 2.156 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -5.619 2.550 1.865 0.00 0.00 +0.253 A ATOM 14 O LIG 1 -6.009 3.507 2.529 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -4.267 -0.657 -0.450 0.00 0.00 -0.253 NA ATOM 16 N LIG 1 -4.736 2.744 0.834 0.00 0.00 -0.321 N ATOM 17 H LIG 1 -4.447 3.700 0.678 0.00 0.00 +0.169 HD ATOM 18 C LIG 1 -3.393 -0.399 -1.453 0.00 0.00 +0.116 A BRANCH 12 19 ATOM 19 C LIG 1 -7.045 0.924 3.280 0.00 0.00 +0.024 C ATOM 20 C LIG 1 -6.936 -0.293 4.163 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -8.099 -0.152 3.221 0.00 0.00 +0.009 C ENDBRANCH 12 19 ENDBRANCH 6 7 ENDBRANCH 3 6 BRANCH 5 22 ATOM 22 O LIG 1 1.802 -1.246 -3.050 0.00 0.00 -0.484 OA BRANCH 22 23 ATOM 23 C LIG 1 2.736 -1.493 -2.083 0.00 0.00 +0.139 A ATOM 24 C LIG 1 4.008 -0.941 -2.124 0.00 0.00 +0.157 A ATOM 25 N LIG 1 4.957 -1.168 -1.187 0.00 0.00 -0.247 NA ATOM 26 C LIG 1 4.607 -2.011 -0.171 0.00 0.00 +0.126 A ATOM 27 C LIG 1 3.365 -2.627 -0.066 0.00 0.00 +0.036 A ATOM 28 C LIG 1 2.415 -2.366 -1.051 0.00 0.00 +0.049 A BRANCH 26 29 ATOM 29 C LIG 1 5.652 -2.255 0.875 0.00 0.00 +0.263 C ATOM 30 N LIG 1 6.847 -1.608 0.629 0.00 0.00 -0.307 N ATOM 31 H LIG 1 6.880 -1.048 -0.220 0.00 0.00 +0.149 HD ATOM 32 O LIG 1 5.430 -2.969 1.847 0.00 0.00 -0.269 OA BRANCH 30 33 ATOM 33 C LIG 1 7.970 -1.651 1.504 0.00 0.00 +0.073 C ATOM 34 C LIG 1 9.349 -1.327 0.997 0.00 0.00 +0.024 C ATOM 35 C LIG 1 8.649 -0.378 1.924 0.00 0.00 +0.024 C ENDBRANCH 30 33 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 5 22 TORSDOF 7