REMARK Name = BDB020595 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.977 0.006 -0.242 0.00 0.00 +0.056 A ATOM 2 N LIG 1 -1.331 1.295 -0.734 0.00 0.00 -0.317 N ATOM 3 C LIG 1 -0.586 2.448 -0.477 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.187 3.527 -1.088 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -2.339 3.048 -1.742 0.00 0.00 +0.020 A ATOM 6 C LIG 1 0.586 2.325 0.310 0.00 0.00 +0.039 A ATOM 7 C LIG 1 0.942 1.117 0.779 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -2.406 1.693 -1.511 0.00 0.00 +0.091 A ATOM 9 C LIG 1 0.148 -0.100 0.525 0.00 0.00 -0.016 A ATOM 10 C LIG 1 0.669 -1.359 1.175 0.00 0.00 +0.046 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 2.217 1.105 1.550 0.00 0.00 +0.245 C ATOM 12 N LIG 1 3.268 0.576 0.842 0.00 0.00 -0.307 N ATOM 13 H LIG 1 3.051 0.086 -0.019 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 2.286 1.526 2.697 0.00 0.00 -0.270 OA BRANCH 12 15 ATOM 15 C LIG 1 4.490 0.209 1.518 0.00 0.00 +0.145 C BRANCH 15 16 ATOM 16 C LIG 1 5.588 0.035 0.513 0.00 0.00 +0.037 A ATOM 17 C LIG 1 5.558 -1.264 -0.235 0.00 0.00 +0.254 A ATOM 18 O LIG 1 4.638 -2.067 -0.105 0.00 0.00 -0.268 OA ATOM 19 N LIG 1 6.601 -1.506 -1.092 0.00 0.00 -0.326 N ATOM 20 H LIG 1 6.564 -2.391 -1.583 0.00 0.00 +0.169 HD ATOM 21 C LIG 1 7.629 -0.629 -1.330 0.00 0.00 +0.016 A ATOM 22 C LIG 1 8.676 -1.055 -2.312 0.00 0.00 +0.063 C ATOM 23 C LIG 1 7.642 0.549 -0.689 0.00 0.00 +0.024 A ATOM 24 C LIG 1 6.599 0.898 0.267 0.00 0.00 -0.039 A ATOM 25 C LIG 1 6.759 2.248 0.909 0.00 0.00 +0.044 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 7 11 BRANCH 1 26 ATOM 26 C LIG 1 -1.862 -1.189 -0.589 0.00 0.00 +0.163 C ATOM 27 C LIG 1 -1.682 -1.613 -2.049 0.00 0.00 +0.044 C BRANCH 26 28 ATOM 28 O LIG 1 -3.250 -0.928 -0.364 0.00 0.00 -0.366 OA BRANCH 28 29 ATOM 29 C LIG 1 -3.604 -0.923 1.018 0.00 0.00 +0.196 C BRANCH 29 32 ATOM 30 C LIG 1 -7.389 -1.232 0.623 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -6.017 -1.474 0.514 0.00 0.00 +0.051 A ATOM 32 C LIG 1 -5.078 -0.637 1.138 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -5.539 0.455 1.882 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -6.908 0.700 1.997 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -7.832 -0.141 1.371 0.00 0.00 +0.045 A BRANCH 30 37 ATOM 36 C LIG 1 -9.583 -1.887 -0.016 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -8.182 -2.130 -0.038 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 8