REMARK Name = BDB016048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.645 -1.208 -0.839 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.171 -2.506 -1.025 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.180 -2.676 -0.787 0.00 0.00 +0.125 A ATOM 4 N LIG 1 2.015 -1.689 -0.407 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 1.472 -0.467 -0.277 0.00 0.00 +0.162 A ATOM 6 N LIG 1 0.170 -0.194 -0.483 0.00 0.00 -0.212 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -0.998 -3.617 -1.454 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -0.938 -4.895 -0.937 0.00 0.00 +0.116 A ATOM 9 N LIG 1 -1.882 -5.621 -1.605 0.00 0.00 -0.274 N ATOM 10 C LIG 1 -2.201 -7.016 -1.418 0.00 0.00 +0.172 C ATOM 11 N LIG 1 -2.559 -4.904 -2.518 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -2.012 -3.689 -2.436 0.00 0.00 +0.143 A ENDBRANCH 2 7 BRANCH 5 13 ATOM 13 C LIG 1 2.354 0.646 0.127 0.00 0.00 +0.020 A ATOM 14 C LIG 1 3.727 0.442 0.383 0.00 0.00 +0.020 A ATOM 15 C LIG 1 4.581 1.490 0.767 0.00 0.00 -0.014 A ATOM 16 C LIG 1 4.048 2.776 0.902 0.00 0.00 +0.008 A ATOM 17 C LIG 1 2.696 3.010 0.655 0.00 0.00 +0.001 A ATOM 18 C LIG 1 1.863 1.957 0.273 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 5.987 1.225 1.027 0.00 0.00 +0.020 A ATOM 20 C LIG 1 7.014 2.134 0.870 0.00 0.00 +0.116 A ATOM 21 N LIG 1 8.164 1.477 1.203 0.00 0.00 -0.274 N ATOM 22 C LIG 1 9.504 2.011 1.190 0.00 0.00 +0.172 C ATOM 23 N LIG 1 7.965 0.199 1.569 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 6.643 0.047 1.457 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 5 13 BRANCH 1 25 ATOM 25 N LIG 1 -2.015 -0.906 -1.051 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.583 -1.620 -0.600 0.00 0.00 +0.148 HD BRANCH 25 29 ATOM 27 C LIG 1 -4.278 0.325 0.409 0.00 0.00 +0.010 C ATOM 28 C LIG 1 -2.809 0.791 0.599 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -2.543 0.422 -0.878 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -4.068 0.478 -1.122 0.00 0.00 +0.027 C BRANCH 27 31 ATOM 31 C LIG 1 -5.416 1.065 1.093 0.00 0.00 +0.107 C BRANCH 31 34 ATOM 32 C LIG 1 -6.313 4.694 0.554 0.00 0.00 +0.109 C ATOM 33 C LIG 1 -6.526 3.239 0.872 0.00 0.00 +0.210 C ATOM 34 N LIG 1 -5.399 2.460 0.711 0.00 0.00 -0.315 N ATOM 35 H LIG 1 -4.512 2.942 0.664 0.00 0.00 +0.149 HD ATOM 36 O LIG 1 -7.609 2.806 1.251 0.00 0.00 -0.276 OA ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 7