REMARK Name = BDB057472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.138 0.412 -0.022 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.088 0.822 0.817 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.419 1.800 0.084 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.054 1.663 -0.193 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.659 0.546 0.259 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.015 -0.434 0.994 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.377 -0.293 1.267 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 3.413 0.817 1.149 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 4.228 1.934 0.780 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 4.757 1.809 -0.649 0.00 0.00 +0.097 C BRANCH 10 15 ATOM 11 C LIG 1 7.954 0.137 -0.737 0.00 0.00 +0.130 A ATOM 12 S LIG 1 7.184 -1.365 -1.058 0.00 0.00 -0.071 S ATOM 13 C LIG 1 5.654 -0.590 -1.033 0.00 0.00 +0.010 A ATOM 14 C LIG 1 4.409 -1.376 -1.248 0.00 0.00 +0.053 C ATOM 15 C LIG 1 5.821 0.761 -0.774 0.00 0.00 +0.055 A ATOM 16 N LIG 1 7.138 1.163 -0.613 0.00 0.00 -0.242 NA BRANCH 11 21 ATOM 17 C LIG 1 13.085 -0.593 -0.502 0.00 0.00 +0.089 C ATOM 18 C LIG 1 11.684 -0.140 -0.521 0.00 0.00 +0.135 A ATOM 19 O LIG 1 11.476 1.185 -0.301 0.00 0.00 -0.359 OA ATOM 20 N LIG 1 10.120 1.453 -0.350 0.00 0.00 -0.076 NA ATOM 21 C LIG 1 9.523 0.280 -0.601 0.00 0.00 +0.138 A ATOM 22 C LIG 1 10.475 -0.761 -0.718 0.00 0.00 +0.077 A ENDBRANCH 11 21 ENDBRANCH 10 15 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 -3.017 0.838 1.169 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -2.909 2.357 1.351 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -3.074 3.212 0.493 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -2.624 2.723 2.621 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -2.633 3.703 2.588 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -4.441 0.500 0.927 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -4.769 0.973 0.069 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.853 -0.845 0.920 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -5.929 -1.270 0.105 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -6.367 -2.605 0.117 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -5.785 -3.523 0.985 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.770 -3.110 1.842 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -4.319 -1.785 1.816 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 -6.572 -0.314 -0.835 0.00 0.00 +0.195 C ATOM 37 O LIG 1 -5.862 0.448 -1.488 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 -8.049 -0.259 -0.990 0.00 0.00 +0.022 A ATOM 39 C LIG 1 -8.576 0.138 -2.224 0.00 0.00 +0.012 A ATOM 40 C LIG 1 -9.958 0.210 -2.405 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -10.815 -0.104 -1.351 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -10.294 -0.480 -0.112 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -8.912 -0.553 0.073 0.00 0.00 +0.012 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13