REMARK Name = BDB004785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.326 0.592 -0.424 0.00 0.00 +0.119 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.331 -0.268 -1.203 0.00 0.00 -0.024 A ATOM 3 C LIG 1 1.014 -0.375 -0.799 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.918 -1.177 -1.500 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.463 -1.908 -2.602 0.00 0.00 +0.023 A ATOM 6 C LIG 1 0.134 -1.811 -3.018 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.757 -0.993 -2.326 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.275 -1.315 -1.142 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.802 -2.004 -1.661 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 3.982 -0.519 -0.258 0.00 0.00 +0.248 C ATOM 11 O LIG 1 3.598 0.524 0.258 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 5.375 -0.976 0.011 0.00 0.00 +0.037 A ATOM 13 C LIG 1 5.696 -2.336 0.110 0.00 0.00 +0.013 A ATOM 14 C LIG 1 7.012 -2.724 0.370 0.00 0.00 +0.001 A ATOM 15 C LIG 1 8.005 -1.759 0.538 0.00 0.00 +0.000 A ATOM 16 C LIG 1 7.687 -0.404 0.456 0.00 0.00 +0.001 A ATOM 17 C LIG 1 6.372 -0.011 0.199 0.00 0.00 +0.013 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 N LIG 1 -0.699 1.892 -0.132 0.00 0.00 -0.320 N ATOM 19 H LIG 1 -0.043 2.156 -0.863 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -1.556 2.978 0.124 0.00 0.00 +0.130 A ATOM 21 C LIG 1 -0.997 4.222 0.485 0.00 0.00 +0.041 A ATOM 22 C LIG 1 -1.909 5.266 0.706 0.00 0.00 +0.088 A ATOM 23 C LIG 1 -1.376 6.509 1.068 0.00 0.00 +0.063 A ATOM 24 C LIG 1 -0.001 6.743 1.219 0.00 0.00 +0.015 A ATOM 25 C LIG 1 0.891 5.704 1.007 0.00 0.00 +0.002 A ATOM 26 N LIG 1 -3.235 5.080 0.567 0.00 0.00 -0.235 NA ATOM 27 C LIG 1 -3.657 3.850 0.263 0.00 0.00 +0.223 A ATOM 28 C LIG 1 0.397 4.452 0.646 0.00 0.00 +0.013 A ATOM 29 N LIG 1 -2.883 2.787 0.035 0.00 0.00 -0.220 NA BRANCH 23 30 ATOM 30 C LIG 1 -2.280 7.637 1.333 0.00 0.00 +0.244 C ATOM 31 O LIG 1 -2.771 7.827 2.440 0.00 0.00 -0.270 OA ATOM 32 N LIG 1 -2.482 8.485 0.274 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -2.220 8.235 -0.675 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -3.190 9.198 0.398 0.00 0.00 +0.145 HD ENDBRANCH 23 30 ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 35 ATOM 35 C LIG 1 -1.784 -0.102 0.892 0.00 0.00 +0.137 C BRANCH 35 37 ATOM 36 C LIG 1 -4.014 -1.020 0.240 0.00 0.00 +0.135 C ATOM 37 N LIG 1 -2.654 -1.269 0.687 0.00 0.00 -0.268 N ATOM 38 C LIG 1 -2.081 -2.529 0.652 0.00 0.00 +0.403 C ATOM 39 O LIG 1 -0.923 -2.760 0.972 0.00 0.00 -0.226 OA BRANCH 38 40 ATOM 40 O LIG 1 -2.954 -3.471 0.211 0.00 0.00 -0.445 OA BRANCH 40 41 ATOM 41 C LIG 1 -2.547 -4.857 0.079 0.00 0.00 +0.107 C ATOM 42 C LIG 1 -1.435 -5.014 -0.966 0.00 0.00 +0.055 C ATOM 43 C LIG 1 -2.154 -5.457 1.434 0.00 0.00 +0.055 C ATOM 44 C LIG 1 -3.803 -5.582 -0.430 0.00 0.00 +0.055 C ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 10