REMARK Name = BDB057520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.320 1.760 0.976 0.00 0.00 -0.045 A ATOM 2 C LIG 1 -0.637 1.913 1.991 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -1.392 0.822 2.422 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.205 -0.425 1.833 0.00 0.00 +0.123 A ATOM 5 C LIG 1 -0.246 -0.600 0.841 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.505 0.493 0.405 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.136 2.946 0.511 0.00 0.00 +0.068 C BRANCH 7 8 ATOM 8 CA LIG 1 2.559 3.066 1.100 0.00 0.00 +0.184 C BRANCH 8 9 ATOM 9 N LIG 1 3.431 2.009 0.539 0.00 0.00 -0.331 N ATOM 10 H LIG 1 3.112 1.078 0.858 0.00 0.00 +0.147 HD BRANCH 9 12 ATOM 11 C LIG 1 5.591 0.874 0.449 0.00 0.00 +0.043 A ATOM 12 C LIG 1 4.830 2.046 0.675 0.00 0.00 +0.039 A ATOM 13 C LIG 1 5.542 3.236 0.885 0.00 0.00 +0.023 A ATOM 14 C LIG 1 6.941 3.249 0.958 0.00 0.00 +0.002 A ATOM 15 C LIG 1 7.666 2.073 0.799 0.00 0.00 +0.001 A ATOM 16 C LIG 1 6.993 0.883 0.541 0.00 0.00 +0.013 A BRANCH 11 18 ATOM 17 O LIG 1 3.914 -0.743 0.784 0.00 0.00 -0.287 OA ATOM 18 C LIG 1 4.906 -0.411 0.137 0.00 0.00 +0.195 C BRANCH 18 19 ATOM 19 C LIG 1 5.393 -1.296 -0.953 0.00 0.00 +0.022 A ATOM 20 C LIG 1 5.181 -2.675 -0.838 0.00 0.00 +0.012 A ATOM 21 C LIG 1 5.617 -3.536 -1.845 0.00 0.00 +0.001 A ATOM 22 C LIG 1 6.255 -3.022 -2.974 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.450 -1.647 -3.103 0.00 0.00 +0.001 A ATOM 24 C LIG 1 6.016 -0.781 -2.097 0.00 0.00 +0.012 A ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 9 12 ENDBRANCH 8 9 BRANCH 8 25 ATOM 25 C LIG 1 2.526 3.059 2.633 0.00 0.00 +0.326 C ATOM 26 O LIG 1 3.058 2.269 3.396 0.00 0.00 -0.249 OA BRANCH 25 27 ATOM 27 OXT LIG 1 1.839 4.107 3.146 0.00 0.00 -0.479 OA ATOM 28 HXT LIG 1 1.911 3.957 4.113 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 8 25 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 29 ATOM 29 O LIG 1 -1.955 -1.472 2.305 0.00 0.00 -0.474 OA BRANCH 29 30 ATOM 30 C LIG 1 -2.837 -2.100 1.344 0.00 0.00 +0.247 C ATOM 31 N LIG 1 -4.092 -1.328 1.126 0.00 0.00 -0.257 NA ATOM 32 C LIG 1 -4.792 -2.218 2.082 0.00 0.00 +0.094 C ATOM 33 C LIG 1 -3.674 -3.253 1.934 0.00 0.00 +0.077 C BRANCH 31 34 ATOM 34 C LIG 1 -4.604 -1.507 -0.259 0.00 0.00 +0.120 C BRANCH 34 35 ATOM 35 C LIG 1 -6.034 -0.973 -0.424 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -6.952 -1.669 -1.230 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -8.253 -1.192 -1.405 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.654 -0.012 -0.782 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.755 0.695 0.012 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.454 0.221 0.188 0.00 0.00 +0.005 A ENDBRANCH 34 35 BRANCH 34 41 ATOM 41 C LIG 1 -3.687 -0.872 -1.312 0.00 0.00 -0.026 A ATOM 42 C LIG 1 -3.159 0.419 -1.147 0.00 0.00 +0.005 A ATOM 43 C LIG 1 -2.327 0.981 -2.117 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -2.017 0.264 -3.270 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -2.541 -1.013 -3.456 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -3.372 -1.577 -2.486 0.00 0.00 +0.005 A ENDBRANCH 34 41 ENDBRANCH 31 34 ENDBRANCH 29 30 ENDBRANCH 4 29 TORSDOF 13