REMARK Name = BDB040332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.272 -0.716 -0.935 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.950 -1.321 -1.250 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.254 -2.115 -2.121 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.936 -0.825 -0.282 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.282 -1.130 -0.188 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.022 -0.522 0.835 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.380 0.379 1.720 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.008 0.677 1.611 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.301 0.054 0.587 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.141 0.169 0.215 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.932 -0.364 -1.816 0.00 0.00 -0.036 A ATOM 12 C LIG 1 2.672 -0.232 -1.181 0.00 0.00 +0.027 A ATOM 13 C LIG 1 1.508 -0.895 -1.617 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.619 -1.728 -2.730 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.843 -1.899 -3.377 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.978 -1.231 -2.922 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.273 0.416 -1.264 0.00 0.00 +0.045 C ATOM 18 C LIG 1 6.176 1.027 -2.407 0.00 0.00 +0.090 C ATOM 19 C LIG 1 5.427 2.362 -2.224 0.00 0.00 +0.251 C ATOM 20 F LIG 1 6.184 3.478 -2.304 0.00 0.00 -0.206 F ATOM 21 F LIG 1 4.375 2.552 -3.053 0.00 0.00 -0.206 F ATOM 22 C LIG 1 5.059 1.904 -0.799 0.00 0.00 +0.090 C BRANCH 17 23 ATOM 23 C LIG 1 5.941 -0.508 -0.222 0.00 0.00 +0.244 C ATOM 24 F LIG 1 4.987 -0.778 0.726 0.00 0.00 -0.236 F BRANCH 23 27 ATOM 25 C LIG 1 6.934 -1.398 2.574 0.00 0.00 +0.151 C ATOM 26 N LIG 1 7.578 -0.444 1.711 0.00 0.00 -0.318 N ATOM 27 C LIG 1 7.172 -0.022 0.468 0.00 0.00 +0.168 A ATOM 28 N LIG 1 8.065 0.837 0.018 0.00 0.00 -0.132 NA ATOM 29 N LIG 1 9.042 0.992 0.970 0.00 0.00 -0.138 NA ATOM 30 C LIG 1 8.735 0.218 1.982 0.00 0.00 +0.224 A ENDBRANCH 23 27 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 -1.329 1.638 2.549 0.00 0.00 +0.418 C ATOM 32 F LIG 1 -2.135 2.111 3.537 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -0.839 2.730 1.901 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -0.260 1.072 3.175 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 -5.503 -0.800 0.980 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 -6.278 0.373 0.572 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 -5.947 0.669 -0.347 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 -7.730 0.130 0.632 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -8.424 1.318 -0.101 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -9.294 0.272 -0.832 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -8.175 -0.757 -0.564 0.00 0.00 +0.022 C ATOM 42 C LIG 1 -8.272 -0.172 2.018 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8