REMARK Name = BDB011950 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.737 0.181 -0.762 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.833 -0.491 0.274 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.273 -1.432 0.950 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.530 -0.145 0.276 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.938 1.205 0.685 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.031 2.278 0.931 0.00 0.00 +0.059 A ATOM 7 C LIG 1 0.498 3.467 1.541 0.00 0.00 +0.044 A ATOM 8 C LIG 1 1.841 3.652 1.859 0.00 0.00 +0.054 A ATOM 9 C LIG 1 2.746 2.653 1.541 0.00 0.00 +0.021 A ATOM 10 N LIG 1 -1.326 2.284 0.462 0.00 0.00 -0.268 N ATOM 11 C LIG 1 -2.345 2.896 1.196 0.00 0.00 +0.217 C ATOM 12 O LIG 1 -2.223 3.246 2.373 0.00 0.00 -0.276 OA ATOM 13 C LIG 1 -3.662 3.137 0.500 0.00 0.00 +0.109 C ATOM 14 C LIG 1 2.297 1.461 0.960 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -1.519 1.677 -0.856 0.00 0.00 +0.145 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 -4.144 -0.085 -1.357 0.00 0.00 +0.230 C ATOM 17 N LIG 1 -3.118 -0.178 -0.445 0.00 0.00 -0.301 N ATOM 18 H LIG 1 -3.298 -0.761 0.376 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 -3.997 0.456 -2.449 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 -5.457 -0.767 -0.897 0.00 0.00 +0.137 C ATOM 21 C LIG 1 -6.658 -0.052 -1.512 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 -6.472 -1.749 1.098 0.00 0.00 +0.101 C ATOM 23 N LIG 1 -5.502 -0.792 0.585 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 -5.732 0.141 0.931 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 8 25 ATOM 25 C LIG 1 2.289 4.874 2.460 0.00 0.00 +0.099 C ATOM 26 N LIG 1 2.667 5.861 2.938 0.00 0.00 -0.191 NA ENDBRANCH 8 25 BRANCH 4 27 ATOM 27 C LIG 1 1.372 -1.290 0.700 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 C LIG 1 2.725 -1.541 0.022 0.00 0.00 -0.019 A ATOM 29 C LIG 1 3.896 -1.810 0.840 0.00 0.00 -0.012 A ATOM 30 C LIG 1 5.130 -2.130 0.210 0.00 0.00 -0.000 A ATOM 31 C LIG 1 6.292 -2.380 0.994 0.00 0.00 +0.059 A ATOM 32 C LIG 1 6.247 -2.322 2.389 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.055 -2.021 3.022 0.00 0.00 +0.002 A ATOM 34 C LIG 1 5.161 -2.203 -1.190 0.00 0.00 +0.010 A ATOM 35 C LIG 1 4.025 -1.971 -1.962 0.00 0.00 +0.005 A ATOM 36 C LIG 1 3.910 -1.774 2.261 0.00 0.00 +0.009 A ATOM 37 C LIG 1 2.788 -1.625 -1.400 0.00 0.00 -0.039 A BRANCH 37 38 ATOM 38 C LIG 1 1.581 -1.406 -2.305 0.00 0.00 +0.019 C ATOM 39 C LIG 1 1.341 -0.025 -2.879 0.00 0.00 +0.009 C ATOM 40 C LIG 1 1.711 -1.147 -3.793 0.00 0.00 +0.009 C ENDBRANCH 37 38 BRANCH 31 41 ATOM 41 C LIG 1 7.558 -2.703 0.391 0.00 0.00 +0.100 C ATOM 42 N LIG 1 8.581 -2.963 -0.092 0.00 0.00 -0.191 NA ENDBRANCH 31 41 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 8