REMARK Name = BDB056028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.818 2.093 -1.614 0.00 0.00 +0.094 A ATOM 2 N LIG 1 -0.241 2.917 -2.506 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 1.074 2.721 -2.345 0.00 0.00 -0.263 N ATOM 4 H LIG 1 1.704 3.245 -2.940 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 1.393 1.809 -1.379 0.00 0.00 +0.121 A ATOM 6 C LIG 1 0.181 1.389 -0.883 0.00 0.00 +0.073 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -5.099 1.831 -1.251 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -4.514 2.780 -2.086 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -3.118 2.861 -2.200 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -2.278 1.998 -1.482 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.873 1.048 -0.643 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -4.268 0.966 -0.530 0.00 0.00 +0.024 A BRANCH 7 16 ATOM 13 N LIG 1 -8.778 2.006 -1.328 0.00 0.00 -0.251 N ATOM 14 H LIG 1 -9.487 2.555 -1.792 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -7.504 2.381 -1.659 0.00 0.00 +0.309 C ATOM 16 N LIG 1 -6.486 1.674 -1.081 0.00 0.00 -0.269 N ATOM 17 H LIG 1 -6.785 0.939 -0.447 0.00 0.00 +0.156 HD ATOM 18 O LIG 1 -7.382 3.318 -2.446 0.00 0.00 -0.252 OA BRANCH 13 22 ATOM 19 C LIG 1 -10.523 -0.360 0.653 0.00 0.00 +0.144 A ATOM 20 O LIG 1 -9.219 -0.660 0.917 0.00 0.00 -0.357 OA ATOM 21 N LIG 1 -8.393 0.187 0.208 0.00 0.00 -0.063 NA ATOM 22 C LIG 1 -9.198 1.003 -0.482 0.00 0.00 +0.169 A ATOM 23 C LIG 1 -10.555 0.696 -0.229 0.00 0.00 +0.092 A BRANCH 19 25 ATOM 24 C LIG 1 -11.323 -2.690 1.027 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -11.559 -1.202 1.346 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -12.976 -0.821 0.880 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -11.468 -0.985 2.868 0.00 0.00 +0.019 C ENDBRANCH 19 25 ENDBRANCH 13 22 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 5 28 ATOM 28 N LIG 1 2.702 1.481 -1.079 0.00 0.00 -0.267 N ATOM 29 H LIG 1 3.442 1.910 -1.619 0.00 0.00 +0.157 HD ATOM 30 C LIG 1 3.029 0.510 -0.146 0.00 0.00 +0.249 C ATOM 31 O LIG 1 2.244 -0.186 0.487 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 4.490 0.287 0.049 0.00 0.00 +0.037 A ATOM 33 C LIG 1 4.929 -1.010 0.345 0.00 0.00 +0.016 A ATOM 34 C LIG 1 6.289 -1.271 0.529 0.00 0.00 +0.046 A ATOM 35 C LIG 1 7.212 -0.229 0.441 0.00 0.00 +0.121 A ATOM 36 C LIG 1 6.783 1.063 0.138 0.00 0.00 +0.046 A ATOM 37 C LIG 1 5.423 1.329 -0.043 0.00 0.00 +0.016 A BRANCH 35 38 ATOM 38 O LIG 1 8.560 -0.412 0.572 0.00 0.00 -0.491 OA BRANCH 38 39 ATOM 39 C LIG 1 8.924 -1.089 1.787 0.00 0.00 +0.244 C BRANCH 39 40 ATOM 40 C LIG 1 10.460 -1.122 1.906 0.00 0.00 +0.125 C BRANCH 40 41 ATOM 41 N LIG 1 11.076 -2.346 1.339 0.00 0.00 -0.299 NA ATOM 42 C LIG 1 10.956 -2.434 -0.126 0.00 0.00 +0.084 C ATOM 43 C LIG 1 12.086 -1.583 -0.687 0.00 0.00 +0.017 C ATOM 44 C LIG 1 13.147 -1.578 0.406 0.00 0.00 +0.017 C ATOM 45 C LIG 1 12.531 -2.354 1.565 0.00 0.00 +0.084 C ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 5 28 TORSDOF 10