REMARK Name = BDB014906 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.135 -1.005 0.272 0.00 0.00 -0.296 N ATOM 2 H LIG 1 -0.287 -2.001 0.399 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -4.462 -4.505 0.124 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -5.233 -3.270 0.520 0.00 0.00 +0.213 C ATOM 5 N LIG 1 -4.519 -2.081 0.623 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.043 -2.049 0.636 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -2.535 -0.671 0.399 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -1.213 -0.186 0.238 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.221 1.138 0.061 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -2.518 1.506 0.101 0.00 0.00 -0.261 N ATOM 11 C LIG 1 -3.344 0.444 0.311 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.825 0.404 0.420 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -5.230 -0.896 1.144 0.00 0.00 +0.114 C ATOM 14 O LIG 1 -6.445 -3.341 0.724 0.00 0.00 -0.276 OA BRANCH 10 15 ATOM 15 C LIG 1 -2.820 2.911 -0.049 0.00 0.00 +0.135 C ATOM 16 C LIG 1 -3.382 3.572 1.201 0.00 0.00 +0.186 C ATOM 17 O LIG 1 -4.346 4.552 0.773 0.00 0.00 -0.378 OA ATOM 18 C LIG 1 -4.298 4.628 -0.657 0.00 0.00 +0.162 C ATOM 19 C LIG 1 -3.821 3.274 -1.129 0.00 0.00 +0.057 C ENDBRANCH 10 15 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 1.251 -0.745 0.157 0.00 0.00 +0.068 A ATOM 21 C LIG 1 2.138 -1.835 0.194 0.00 0.00 +0.145 A ATOM 22 F LIG 1 1.638 -3.073 0.343 0.00 0.00 -0.204 F ATOM 23 C LIG 1 3.518 -1.680 0.080 0.00 0.00 +0.049 A ATOM 24 C LIG 1 4.054 -0.402 -0.078 0.00 0.00 -0.011 A ATOM 25 C LIG 1 3.192 0.700 -0.111 0.00 0.00 +0.010 A ATOM 26 C LIG 1 1.806 0.527 0.002 0.00 0.00 +0.027 A BRANCH 24 27 ATOM 27 C LIG 1 5.485 -0.220 -0.206 0.00 0.00 +0.032 A ATOM 28 C LIG 1 6.449 -0.785 -1.103 0.00 0.00 +0.154 A ATOM 29 N LIG 1 7.688 -0.364 -0.778 0.00 0.00 -0.166 NA ATOM 30 N LIG 1 7.514 0.439 0.280 0.00 0.00 -0.273 N ATOM 31 C LIG 1 8.665 1.056 0.894 0.00 0.00 +0.172 C ATOM 32 C LIG 1 6.215 0.567 0.661 0.00 0.00 +0.117 A BRANCH 28 33 ATOM 33 C LIG 1 6.242 -1.688 -2.250 0.00 0.00 +0.262 C ATOM 34 O LIG 1 7.095 -2.449 -2.702 0.00 0.00 -0.269 OA ATOM 35 N LIG 1 5.016 -1.626 -2.861 0.00 0.00 -0.324 N ATOM 36 H LIG 1 4.391 -0.848 -2.701 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 4.940 -2.126 -3.736 0.00 0.00 +0.145 HD ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 1 20 TORSDOF 5