REMARK Name = BDB041884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.455 -0.324 -0.130 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -2.573 0.160 -1.068 0.00 0.00 +0.172 C ATOM 3 C LIG 1 -3.791 -0.790 -1.238 0.00 0.00 +0.242 C ATOM 4 O LIG 1 -4.586 -0.559 -2.161 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -4.081 -1.761 -0.262 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -3.148 -1.956 0.760 0.00 0.00 +0.135 A ATOM 7 N LIG 1 -3.146 -2.856 1.829 0.00 0.00 -0.218 N ATOM 8 N LIG 1 -2.330 -2.394 2.822 0.00 0.00 -0.173 NA ATOM 9 C LIG 1 -1.538 -1.519 2.202 0.00 0.00 +0.141 A ATOM 10 C LIG 1 -1.977 -1.248 0.897 0.00 0.00 +0.022 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 2.032 -1.259 -1.409 0.00 0.00 -0.030 A ATOM 12 C LIG 1 0.967 -0.604 -0.773 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -0.350 -1.094 -0.846 0.00 0.00 -0.037 A ATOM 14 C LIG 1 -0.585 -2.257 -1.598 0.00 0.00 +0.004 A ATOM 15 C LIG 1 0.468 -2.920 -2.231 0.00 0.00 +0.001 A ATOM 16 C LIG 1 1.768 -2.428 -2.133 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 3.436 -0.710 -1.302 0.00 0.00 +0.142 C BRANCH 17 19 ATOM 18 C LIG 1 4.540 1.419 -2.051 0.00 0.00 +0.244 C ATOM 19 N LIG 1 3.785 0.281 -2.328 0.00 0.00 -0.296 N ATOM 20 C LIG 1 3.769 -0.172 -3.711 0.00 0.00 +0.132 C ATOM 21 O LIG 1 5.244 1.985 -2.888 0.00 0.00 -0.270 OA BRANCH 18 24 ATOM 22 C LIG 1 2.957 3.050 1.067 0.00 0.00 +0.035 C ATOM 23 C LIG 1 3.264 2.386 -0.235 0.00 0.00 -0.020 C ATOM 24 C LIG 1 4.478 1.993 -0.674 0.00 0.00 +0.024 C BRANCH 24 25 ATOM 25 C LIG 1 5.803 2.312 -0.029 0.00 0.00 +0.124 C BRANCH 25 26 ATOM 26 N LIG 1 6.253 1.292 0.938 0.00 0.00 -0.294 NA ATOM 27 C LIG 1 7.282 1.833 1.857 0.00 0.00 +0.113 C ATOM 28 C LIG 1 8.721 1.496 1.438 0.00 0.00 +0.175 C ATOM 29 O LIG 1 8.972 0.086 1.376 0.00 0.00 -0.377 OA ATOM 30 C LIG 1 7.792 -0.681 1.102 0.00 0.00 +0.175 C ATOM 31 C LIG 1 6.774 0.089 0.246 0.00 0.00 +0.113 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 18 24 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 7 32 ATOM 32 C LIG 1 -3.668 -4.174 1.930 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -3.866 -4.739 3.198 0.00 0.00 +0.028 A ATOM 34 C LIG 1 -4.342 -6.046 3.315 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -4.599 -6.801 2.172 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.367 -6.258 0.909 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -3.893 -4.949 0.784 0.00 0.00 +0.028 A ENDBRANCH 7 32 BRANCH 2 38 ATOM 38 N LIG 1 -3.151 1.452 -0.658 0.00 0.00 -0.297 N ATOM 39 H LIG 1 -4.161 1.568 -0.727 0.00 0.00 +0.150 HD ATOM 40 C LIG 1 -2.417 2.628 -0.704 0.00 0.00 +0.282 C ATOM 41 O LIG 1 -1.203 2.642 -0.877 0.00 0.00 -0.267 OA BRANCH 40 42 ATOM 42 C LIG 1 -3.238 3.889 -0.535 0.00 0.00 +0.216 A ATOM 43 N LIG 1 -4.572 3.718 -0.381 0.00 0.00 -0.219 NA ATOM 44 C LIG 1 -5.310 4.849 -0.229 0.00 0.00 +0.147 A ATOM 45 C LIG 1 -4.726 6.107 -0.227 0.00 0.00 +0.052 A ATOM 46 C LIG 1 -3.361 6.159 -0.393 0.00 0.00 +0.115 A ATOM 47 N LIG 1 -2.594 5.069 -0.546 0.00 0.00 -0.232 NA BRANCH 44 48 ATOM 48 C LIG 1 -6.816 4.740 -0.032 0.00 0.00 +0.434 C ATOM 49 F LIG 1 -7.311 3.489 -0.234 0.00 0.00 -0.164 F ATOM 50 F LIG 1 -7.197 5.098 1.227 0.00 0.00 -0.164 F ATOM 51 F LIG 1 -7.510 5.559 -0.874 0.00 0.00 -0.164 F ENDBRANCH 44 48 ENDBRANCH 40 42 ENDBRANCH 2 38 BRANCH 5 52 ATOM 52 C LIG 1 -5.469 -2.236 -0.222 0.00 0.00 +0.112 C ATOM 53 C LIG 1 -6.393 -1.224 0.449 0.00 0.00 +0.025 C ENDBRANCH 5 52 TORSDOF 11