REMARK Name = BDB010388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.465 1.437 1.073 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.404 1.108 0.249 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.739 1.106 1.018 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.281 1.460 2.280 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.067 1.612 3.359 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.357 1.397 3.073 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.897 1.055 1.889 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 2.099 0.878 0.817 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.067 1.645 2.305 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.287 1.541 4.215 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.801 1.898 5.416 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.842 2.096 5.648 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.842 1.953 6.256 0.00 0.00 +0.440 A ATOM 14 O LIG 1 3.796 2.247 7.439 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.980 1.623 5.561 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.569 1.357 4.214 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 19 ATOM 17 C LIG 1 -4.785 1.775 0.777 0.00 0.00 +0.098 C ATOM 18 C LIG 1 -3.540 2.686 0.888 0.00 0.00 +0.144 C ATOM 19 N LIG 1 -2.725 1.524 0.572 0.00 0.00 -0.295 N ATOM 20 C LIG 1 -3.766 0.661 1.116 0.00 0.00 +0.144 C ATOM 21 C LIG 1 -5.394 1.644 -0.618 0.00 0.00 +0.045 C BRANCH 17 23 ATOM 22 C LIG 1 -6.495 3.207 1.810 0.00 0.00 +0.194 C ATOM 23 O LIG 1 -5.831 1.952 1.773 0.00 0.00 -0.374 OA ENDBRANCH 17 23 ENDBRANCH 1 19 BRANCH 8 24 ATOM 24 N LIG 1 2.645 0.500 -0.402 0.00 0.00 -0.324 N ATOM 25 H LIG 1 2.040 -0.099 -0.943 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 4.056 0.090 -0.436 0.00 0.00 +0.072 C ATOM 27 C LIG 1 4.544 0.270 -1.875 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 4.226 -1.351 0.083 0.00 0.00 +0.009 C ATOM 29 C LIG 1 5.631 -2.005 0.015 0.00 0.00 +0.005 C ATOM 30 C LIG 1 5.144 -2.859 -1.168 0.00 0.00 +0.001 C ATOM 31 C LIG 1 3.697 -2.551 -0.747 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 -0.515 0.925 -1.189 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -1.106 -0.435 -1.608 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -0.186 -1.618 -1.298 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -0.872 -2.956 -1.593 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -1.736 -2.955 -2.868 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -3.232 -2.976 -2.535 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -1.383 -1.782 -3.788 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.475 -0.414 -3.105 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 8