REMARK Name = BDB019777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.631 -0.561 1.166 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.104 -1.871 0.995 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.298 -2.138 0.304 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -3.017 -1.042 -0.207 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.579 0.281 -0.025 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.376 0.510 0.661 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.773 -3.521 0.114 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -4.095 -3.906 0.357 0.00 0.00 +0.221 A ATOM 9 F LIG 1 -4.975 -2.988 0.790 0.00 0.00 -0.183 F ATOM 10 N LIG 1 -4.580 -5.160 0.198 0.00 0.00 -0.227 NA ATOM 11 C LIG 1 -3.708 -6.097 -0.225 0.00 0.00 +0.117 A ATOM 12 C LIG 1 -2.373 -5.843 -0.513 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -1.454 -6.940 -0.947 0.00 0.00 +0.045 C ATOM 14 C LIG 1 -1.909 -4.536 -0.327 0.00 0.00 +0.017 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.328 0.808 1.678 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.065 1.385 0.893 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 0.648 -0.369 1.909 0.00 0.00 +0.244 C ATOM 18 O LIG 1 1.062 -1.252 2.653 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 2.639 1.043 2.242 0.00 0.00 +0.140 C BRANCH 19 23 ATOM 20 C LIG 1 5.670 0.227 -0.733 0.00 0.00 +0.162 A ATOM 21 C LIG 1 5.248 1.552 -0.504 0.00 0.00 +0.162 A ATOM 22 C LIG 1 4.270 1.812 0.465 0.00 0.00 +0.054 A ATOM 23 C LIG 1 3.713 0.768 1.220 0.00 0.00 -0.027 A ATOM 24 C LIG 1 4.138 -0.543 0.982 0.00 0.00 +0.009 A ATOM 25 C LIG 1 5.109 -0.813 0.015 0.00 0.00 +0.050 A BRANCH 20 27 ATOM 26 C LIG 1 7.109 -1.261 -1.926 0.00 0.00 +0.277 C ATOM 27 O LIG 1 6.626 0.056 -1.704 0.00 0.00 -0.491 OA ENDBRANCH 20 27 BRANCH 21 28 ATOM 28 O LIG 1 5.839 2.516 -1.284 0.00 0.00 -0.491 OA ATOM 29 C LIG 1 5.572 3.874 -0.970 0.00 0.00 +0.277 C ENDBRANCH 21 28 ENDBRANCH 19 23 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -3.377 1.433 -0.598 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 N LIG 1 -3.567 2.461 0.407 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -3.904 2.071 1.285 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -4.246 3.597 0.143 0.00 0.00 +0.176 C ATOM 34 N LIG 1 -4.022 4.211 -1.047 0.00 0.00 -0.316 N ATOM 35 H LIG 1 -3.047 4.216 -1.319 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -4.636 5.521 -0.964 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -5.562 5.351 0.244 0.00 0.00 +0.163 C ATOM 38 N LIG 1 -5.074 4.151 0.978 0.00 0.00 -0.255 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9