REMARK Name = BDB011809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.770 0.671 -0.883 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.394 1.186 -0.437 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.307 1.937 0.535 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.703 0.820 -1.228 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.614 -0.250 -2.186 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.116 -1.443 -1.911 0.00 0.00 +0.051 A ATOM 7 N LIG 1 0.831 -1.704 -0.728 0.00 0.00 -0.326 N ATOM 8 C LIG 1 0.031 -1.994 0.481 0.00 0.00 +0.107 C ATOM 9 C LIG 1 -0.645 -3.376 0.427 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -1.305 -3.711 1.774 0.00 0.00 +0.106 C ATOM 11 N LIG 1 -2.537 -4.490 1.673 0.00 0.00 -0.311 N ATOM 12 H LIG 1 -2.509 -5.468 1.948 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -3.822 -3.988 1.541 0.00 0.00 +0.244 C ATOM 14 C LIG 1 -3.942 -2.573 1.148 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -4.015 -1.577 2.120 0.00 0.00 +0.021 A ATOM 16 C LIG 1 -3.704 -0.250 1.777 0.00 0.00 -0.017 A ATOM 17 C LIG 1 -3.298 0.062 0.455 0.00 0.00 -0.010 A ATOM 18 C LIG 1 -2.728 1.343 0.191 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -2.786 2.345 1.180 0.00 0.00 +0.125 A ATOM 20 C LIG 1 -3.314 2.054 2.437 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -3.445 -0.942 -0.526 0.00 0.00 +0.010 A ATOM 22 C LIG 1 -3.729 0.756 2.746 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -3.758 -2.255 -0.188 0.00 0.00 +0.013 A ATOM 24 O LIG 1 -4.818 -4.676 1.722 0.00 0.00 -0.270 OA ATOM 25 C LIG 1 0.136 -2.463 -2.879 0.00 0.00 +0.025 A ATOM 26 C LIG 1 -0.533 -2.329 -4.094 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -1.232 -1.158 -4.370 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -1.269 -0.129 -3.427 0.00 0.00 +0.025 A ATOM 29 C LIG 1 -1.953 1.611 -1.100 0.00 0.00 +0.153 C ATOM 30 C LIG 1 1.987 -0.806 -0.541 0.00 0.00 +0.137 C ENDROOT BRANCH 1 32 ATOM 31 C LIG 1 3.969 1.845 -0.882 0.00 0.00 +0.230 C ATOM 32 N LIG 1 2.795 1.508 -0.253 0.00 0.00 -0.301 N ATOM 33 H LIG 1 2.571 1.944 0.636 0.00 0.00 +0.150 HD ATOM 34 O LIG 1 4.275 1.425 -2.004 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C LIG 1 4.842 2.816 -0.060 0.00 0.00 +0.137 C ATOM 36 C LIG 1 6.057 3.334 -0.846 0.00 0.00 +0.034 C BRANCH 35 38 ATOM 37 C LIG 1 5.906 0.968 1.192 0.00 0.00 +0.101 C ATOM 38 N LIG 1 5.204 2.248 1.258 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 5.813 2.924 1.729 0.00 0.00 +0.122 HD ENDBRANCH 35 38 ENDBRANCH 31 35 ENDBRANCH 1 32 BRANCH 19 40 ATOM 40 O LIG 1 -2.348 3.600 0.821 0.00 0.00 -0.495 OA ATOM 41 C LIG 1 -1.821 4.394 1.878 0.00 0.00 +0.277 C ENDBRANCH 19 40 TORSDOF 4