REMARK Name = BDB063582 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.339 1.802 -0.384 0.00 0.00 -0.267 N ATOM 2 C LIG 1 -1.687 1.863 -1.788 0.00 0.00 +0.110 C ATOM 3 C LIG 1 -1.797 3.298 -2.304 0.00 0.00 +0.041 C ATOM 4 C LIG 1 -0.796 1.003 -2.683 0.00 0.00 +0.041 C ATOM 5 C LIG 1 -3.091 1.236 -1.741 0.00 0.00 +0.251 C ATOM 6 O LIG 1 -3.775 1.115 -2.753 0.00 0.00 -0.272 OA ATOM 7 N LIG 1 -3.387 0.859 -0.446 0.00 0.00 -0.192 N ATOM 8 C LIG 1 -2.340 1.219 0.382 0.00 0.00 +0.317 C ATOM 9 O LIG 1 -2.248 1.099 1.595 0.00 0.00 -0.252 OA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.589 0.200 -0.025 0.00 0.00 +0.045 A ATOM 11 C LIG 1 -4.736 -0.312 1.274 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -5.900 -0.980 1.681 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -6.972 -1.156 0.802 0.00 0.00 +0.055 A ATOM 14 C LIG 1 -6.848 -0.650 -0.492 0.00 0.00 +0.014 A ATOM 15 C LIG 1 -5.678 0.014 -0.893 0.00 0.00 +0.024 A BRANCH 13 16 ATOM 16 C LIG 1 -8.208 -1.900 1.240 0.00 0.00 +0.417 C ATOM 17 F LIG 1 -7.978 -3.233 1.393 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -8.689 -1.465 2.438 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -9.246 -1.798 0.364 0.00 0.00 -0.166 F ENDBRANCH 13 16 ENDBRANCH 7 10 BRANCH 1 20 ATOM 20 C LIG 1 -0.084 2.282 0.178 0.00 0.00 +0.145 C BRANCH 20 27 ATOM 21 C LIG 1 4.277 0.657 -1.731 0.00 0.00 +0.047 C ATOM 22 C LIG 1 3.149 0.463 -0.761 0.00 0.00 -0.008 A ATOM 23 C LIG 1 3.099 -0.635 0.111 0.00 0.00 +0.128 A ATOM 24 C LIG 1 1.980 -0.846 0.929 0.00 0.00 -0.008 A ATOM 25 C LIG 1 1.863 -2.048 1.826 0.00 0.00 +0.047 C ATOM 26 C LIG 1 0.963 0.119 0.951 0.00 0.00 +0.012 A ATOM 27 C LIG 1 1.021 1.256 0.138 0.00 0.00 -0.029 A ATOM 28 C LIG 1 2.121 1.418 -0.710 0.00 0.00 +0.012 A BRANCH 23 29 ATOM 29 O LIG 1 4.091 -1.574 0.103 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 5.258 -1.330 0.919 0.00 0.00 +0.200 C ATOM 31 C LIG 1 5.474 -2.595 1.762 0.00 0.00 +0.067 C ATOM 32 C LIG 1 5.208 -0.120 1.872 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 6.471 -1.190 -0.012 0.00 0.00 +0.348 C ATOM 34 O LIG 1 7.306 -0.298 0.002 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 6.578 -2.182 -0.927 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 7.367 -1.940 -1.451 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 8