REMARK Name = BDB040323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.130 0.567 0.510 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -4.404 1.717 -0.273 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -3.422 2.311 -1.087 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -2.158 1.729 -1.089 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.923 2.136 -1.825 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.061 1.139 -1.422 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.489 0.222 -0.519 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.002 -0.733 0.055 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.892 0.607 -0.317 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.845 0.009 0.489 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.406 1.170 -1.887 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.337 0.182 -1.529 0.00 0.00 +0.028 A ATOM 13 C LIG 1 3.692 0.187 -1.949 0.00 0.00 -0.032 A ATOM 14 C LIG 1 4.084 1.269 -2.755 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.178 2.256 -3.142 0.00 0.00 +0.002 A ATOM 16 C LIG 1 1.849 2.203 -2.721 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 4.710 -1.017 -1.502 0.00 0.00 +0.080 C ATOM 18 C LIG 1 5.960 -1.280 -2.390 0.00 0.00 +0.177 C ATOM 19 O LIG 1 5.268 -2.331 -3.108 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 4.289 -2.420 -2.043 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 4.995 -0.886 0.004 0.00 0.00 +0.248 C ATOM 22 F LIG 1 5.498 0.377 0.216 0.00 0.00 -0.236 F BRANCH 21 23 ATOM 23 C LIG 1 5.889 -1.919 0.612 0.00 0.00 +0.169 A ATOM 24 N LIG 1 7.175 -1.731 1.083 0.00 0.00 -0.312 N ATOM 25 C LIG 1 7.546 -2.934 1.612 0.00 0.00 +0.225 A ATOM 26 N LIG 1 6.585 -3.814 1.445 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 5.542 -3.177 0.835 0.00 0.00 -0.132 NA BRANCH 24 28 ATOM 28 C LIG 1 7.979 -0.513 1.088 0.00 0.00 +0.090 C ATOM 29 C LIG 1 9.478 -0.752 0.842 0.00 0.00 +0.025 C ATOM 30 C LIG 1 10.247 0.567 0.705 0.00 0.00 +0.002 C ATOM 31 C LIG 1 9.685 1.697 1.572 0.00 0.00 +0.000 C ATOM 32 C LIG 1 8.940 1.163 2.791 0.00 0.00 +0.002 C ATOM 33 C LIG 1 7.746 0.292 2.385 0.00 0.00 +0.025 C ENDBRANCH 24 28 ENDBRANCH 21 23 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 34 ATOM 34 C LIG 1 -3.717 3.523 -1.926 0.00 0.00 +0.418 C ATOM 35 F LIG 1 -3.504 3.294 -3.252 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -2.915 4.578 -1.602 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -4.996 3.975 -1.821 0.00 0.00 -0.166 F ENDBRANCH 3 34 BRANCH 1 38 ATOM 38 C LIG 1 -5.213 -0.032 1.389 0.00 0.00 +0.120 C BRANCH 38 40 ATOM 39 C LIG 1 -7.600 -0.565 1.577 0.00 0.00 +0.074 C ATOM 40 N LIG 1 -6.456 -0.317 0.654 0.00 0.00 -0.293 NA ATOM 41 C LIG 1 -6.267 -1.438 -0.290 0.00 0.00 +0.100 C ATOM 42 C LIG 1 -7.569 -1.856 -1.013 0.00 0.00 +0.099 C ATOM 43 N LIG 1 -8.723 -2.100 -0.131 0.00 0.00 -0.303 NA ATOM 44 C LIG 1 -9.318 -3.412 -0.356 0.00 0.00 +0.105 C ATOM 45 C LIG 1 -8.383 -1.891 1.281 0.00 0.00 +0.103 C BRANCH 39 47 ATOM 46 C LIG 1 -9.113 1.114 0.276 0.00 0.00 +0.009 C ATOM 47 C LIG 1 -8.558 0.669 1.635 0.00 0.00 +0.001 C ATOM 48 C LIG 1 -7.907 1.877 2.324 0.00 0.00 +0.009 C ENDBRANCH 39 47 ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 9