REMARK Name = BDB059478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.506 0.404 -1.497 0.00 0.00 +0.247 C ATOM 2 N LIG 1 3.545 0.682 -0.523 0.00 0.00 -0.293 N ATOM 3 C LIG 1 2.418 1.501 -0.958 0.00 0.00 +0.143 C ATOM 4 C LIG 1 1.302 1.662 0.051 0.00 0.00 -0.027 A ATOM 5 C LIG 1 1.328 1.004 1.292 0.00 0.00 -0.040 A ATOM 6 C LIG 1 0.267 1.171 2.193 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -0.809 2.002 1.868 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -0.820 2.691 0.653 0.00 0.00 +0.013 A ATOM 9 C LIG 1 2.478 0.096 1.632 0.00 0.00 +0.054 C ATOM 10 C LIG 1 0.224 2.508 -0.256 0.00 0.00 +0.006 A ATOM 11 C LIG 1 3.755 0.531 0.917 0.00 0.00 +0.113 C ATOM 12 O LIG 1 4.321 0.579 -2.699 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 8.370 -1.123 -0.330 0.00 0.00 +0.029 A ATOM 14 C LIG 1 7.459 -1.890 -1.082 0.00 0.00 +0.024 A ATOM 15 C LIG 1 6.199 -1.403 -1.456 0.00 0.00 +0.015 A ATOM 16 C LIG 1 5.821 -0.120 -1.079 0.00 0.00 +0.037 A ATOM 17 C LIG 1 6.708 0.688 -0.370 0.00 0.00 +0.015 A ATOM 18 C LIG 1 7.963 0.184 -0.003 0.00 0.00 +0.024 A BRANCH 13 20 ATOM 19 C LIG 1 10.583 -0.774 0.718 0.00 0.00 +0.129 C ATOM 20 N LIG 1 9.630 -1.631 0.013 0.00 0.00 -0.336 N ATOM 21 C LIG 1 9.710 -3.056 0.344 0.00 0.00 +0.129 C ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 7 22 ATOM 22 C LIG 1 -1.885 2.185 2.866 0.00 0.00 +0.244 C ATOM 23 N LIG 1 -3.202 2.097 2.489 0.00 0.00 -0.309 N ATOM 24 H LIG 1 -3.834 2.253 3.266 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 -1.601 2.389 4.043 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.763 1.410 1.324 0.00 0.00 +0.137 C BRANCH 26 27 ATOM 27 C LIG 1 -3.605 -0.119 1.423 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 O LIG 1 -4.191 -0.606 2.637 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -3.797 -0.081 3.358 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -4.189 -0.863 0.197 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 -5.504 -0.392 -0.286 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -5.806 -1.011 -1.595 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -7.189 -0.684 -2.120 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -8.209 -0.264 -1.250 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -9.486 0.017 -1.755 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -9.756 -0.140 -3.114 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.754 -0.583 -3.976 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.905 -0.047 0.210 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -7.479 -0.860 -3.482 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -6.593 -0.713 0.654 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 7 22 TORSDOF 8