REMARK Name = BDB041999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.745 1.676 0.580 0.00 0.00 +0.050 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 6.735 0.780 0.044 0.00 0.00 -0.282 N ATOM 3 C LIG 1 6.417 1.401 1.244 0.00 0.00 +0.248 C ATOM 4 O LIG 1 7.174 1.742 2.132 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.962 1.583 1.254 0.00 0.00 +0.042 A ATOM 6 C LIG 1 4.444 1.003 0.099 0.00 0.00 -0.018 A ATOM 7 C LIG 1 3.081 1.025 -0.143 0.00 0.00 +0.009 A ATOM 8 C LIG 1 2.242 1.651 0.798 0.00 0.00 -0.046 A ATOM 9 C LIG 1 2.794 2.229 1.966 0.00 0.00 +0.004 A ATOM 10 C LIG 1 4.169 2.198 2.203 0.00 0.00 +0.013 A ATOM 11 C LIG 1 5.545 0.403 -0.710 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 10.763 -2.341 -1.964 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 10.031 -1.539 -1.392 0.00 0.00 +0.219 C ATOM 14 N LIG 1 9.271 -1.917 -0.316 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.304 -2.906 -0.105 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.136 -1.276 0.129 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.271 -1.900 0.737 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 8.058 0.223 -0.209 0.00 0.00 +0.163 C ATOM 19 C LIG 1 8.511 0.430 -1.652 0.00 0.00 +0.041 C ATOM 20 C LIG 1 9.930 -0.092 -1.815 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 0.066 0.428 1.170 0.00 0.00 +0.089 C BRANCH 21 22 ATOM 22 N LIG 1 -1.405 0.473 1.089 0.00 0.00 -0.300 NA ATOM 23 C LIG 1 -1.894 0.359 -0.302 0.00 0.00 +0.100 C ATOM 24 C LIG 1 -3.439 0.305 -0.383 0.00 0.00 +0.100 C ATOM 25 N LIG 1 -3.980 -0.814 0.405 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -3.532 -0.682 1.801 0.00 0.00 +0.100 C ATOM 27 C LIG 1 -1.989 -0.622 1.895 0.00 0.00 +0.100 C BRANCH 25 28 ATOM 28 C LIG 1 -5.443 -1.037 0.277 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -5.839 -1.790 -1.013 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -4.887 -2.441 -1.819 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.268 -3.158 -2.957 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.612 -3.260 -3.301 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.577 -2.656 -2.501 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.196 -1.940 -1.364 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -6.300 0.201 0.581 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -6.833 0.384 1.869 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -7.614 1.502 2.169 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.874 2.455 1.187 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.356 2.292 -0.095 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.574 1.175 -0.397 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7