REMARK Name = BDB035234 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.464 -0.340 1.255 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -6.197 0.476 1.364 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -5.025 0.058 0.769 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -3.911 0.910 0.755 0.00 0.00 +0.264 A ATOM 5 O LIG 1 -2.906 0.686 0.077 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -3.966 2.133 1.590 0.00 0.00 +0.086 A ATOM 7 C LIG 1 -5.190 2.396 2.202 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -5.330 3.537 2.993 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -4.255 4.398 3.185 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -3.027 4.124 2.579 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -2.856 3.003 1.751 0.00 0.00 +0.042 A ATOM 12 N LIG 1 -6.301 1.565 2.054 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -4.860 -1.200 0.012 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -5.579 -1.178 -1.338 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -6.029 -0.164 -1.865 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -5.688 -2.400 -1.966 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -6.169 -2.393 -2.856 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -5.475 -3.642 -1.419 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -5.798 -4.661 -2.021 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -4.795 -3.683 -0.069 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -5.181 -2.481 0.785 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 -1.589 2.683 1.221 0.00 0.00 -0.343 N ATOM 23 H LIG 1 -1.698 1.947 0.509 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -0.732 3.767 0.752 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 0.511 3.210 0.048 0.00 0.00 +0.019 C BRANCH 25 26 ATOM 26 C LIG 1 1.611 2.714 0.995 0.00 0.00 +0.002 C BRANCH 26 27 ATOM 27 C LIG 1 1.302 1.446 1.796 0.00 0.00 +0.000 C BRANCH 27 28 ATOM 28 C LIG 1 0.963 0.201 0.969 0.00 0.00 +0.001 C BRANCH 28 29 ATOM 29 C LIG 1 2.003 -0.208 -0.081 0.00 0.00 +0.015 C BRANCH 29 30 ATOM 30 C LIG 1 3.369 -0.560 0.529 0.00 0.00 +0.084 C BRANCH 30 31 ATOM 31 N LIG 1 4.403 -1.008 -0.412 0.00 0.00 -0.302 NA ATOM 32 C LIG 1 4.936 0.076 -1.246 0.00 0.00 +0.085 C ATOM 33 C LIG 1 5.776 -0.428 -2.430 0.00 0.00 +0.022 C ATOM 34 C LIG 1 6.383 -1.797 -2.102 0.00 0.00 -0.016 C ATOM 35 C LIG 1 7.539 -1.761 -1.051 0.00 0.00 +0.082 C ATOM 36 C LIG 1 8.548 -1.702 -2.217 0.00 0.00 +0.250 C ATOM 37 F LIG 1 8.972 -0.462 -2.556 0.00 0.00 -0.206 F ATOM 38 F LIG 1 9.655 -2.464 -2.073 0.00 0.00 -0.206 F ATOM 39 C LIG 1 7.446 -2.293 -3.123 0.00 0.00 +0.082 C ATOM 40 C LIG 1 5.279 -2.830 -1.826 0.00 0.00 +0.022 C ATOM 41 C LIG 1 4.037 -2.184 -1.192 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 11 22 TORSDOF 10