REMARK Name = BDB035772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.492 0.758 0.644 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.738 0.910 1.293 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.016 1.029 2.472 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.774 0.903 0.253 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.144 1.022 0.402 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.935 0.983 -0.754 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.316 0.816 -2.017 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.919 0.699 -2.151 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.161 0.745 -0.984 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.318 0.642 -0.799 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.242 0.480 1.033 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.935 0.540 0.485 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.774 0.717 1.259 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.936 0.846 2.639 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.203 0.801 3.220 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.336 0.620 2.427 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -7.311 1.160 -0.742 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.955 0.531 0.625 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.515 0.251 0.083 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.801 1.404 -0.943 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.417 -1.182 -0.602 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.324 -2.400 0.015 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.292 -2.684 1.422 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.254 -3.322 -0.985 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.302 -2.714 -2.146 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.402 -1.365 -1.907 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -9.525 2.132 -0.563 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -8.127 2.349 -0.696 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.267 0.509 -3.494 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.670 -0.708 -3.607 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.286 1.427 -3.722 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.127 0.611 -4.543 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.440 1.090 -0.657 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.061 -0.205 -0.930 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 5.668 -0.902 -0.296 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.521 -0.079 -0.877 0.00 0.00 +0.055 C ATOM 37 C LIG 1 8.151 -1.456 -1.183 0.00 0.00 +0.031 C ATOM 38 C LIG 1 9.012 -1.177 -0.008 0.00 0.00 +0.042 C ATOM 39 C LIG 1 9.852 -2.140 0.723 0.00 0.00 +0.255 C ATOM 40 F LIG 1 9.871 -2.162 2.097 0.00 0.00 -0.205 F ATOM 41 F LIG 1 9.994 -3.434 0.283 0.00 0.00 -0.205 F ATOM 42 C LIG 1 10.509 -1.027 -0.014 0.00 0.00 +0.088 C ATOM 43 C LIG 1 8.033 -0.228 0.574 0.00 0.00 +0.031 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8