REMARK Name = BDB006471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.978 -1.651 -1.491 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.572 -0.628 -2.360 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.209 -0.490 -2.702 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.506 0.425 -3.534 0.00 0.00 -0.022 A ATOM 5 C LIG 1 1.843 0.056 -3.501 0.00 0.00 +0.020 A ATOM 6 N LIG 1 1.959 -1.033 -2.657 0.00 0.00 -0.339 N ATOM 7 C LIG 1 3.008 0.676 -4.198 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.075 1.559 -4.306 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.713 -1.393 -2.168 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.318 -2.432 -1.306 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -1.039 -2.550 -0.982 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -3.739 -2.324 0.053 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -3.006 -2.441 0.737 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -3.428 -1.754 -1.162 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -4.268 -1.321 -1.943 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -5.105 -2.361 0.558 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 -5.198 -1.431 1.761 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -5.391 -0.054 1.534 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -5.457 0.866 2.592 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -5.326 0.388 3.902 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.119 -0.969 4.144 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.048 -1.872 3.082 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 -5.671 2.340 2.295 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -7.033 2.816 2.804 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -4.544 3.207 2.861 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 BRANCH 16 27 ATOM 26 C LIG 1 -5.680 -4.633 -0.440 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -5.531 -3.815 0.839 0.00 0.00 +0.024 C ENDBRANCH 16 27 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 28 ATOM 28 C LIG 1 3.208 -1.734 -2.350 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 4.116 -0.945 -1.437 0.00 0.00 -0.028 A ATOM 30 C LIG 1 5.473 -0.805 -1.756 0.00 0.00 +0.006 A ATOM 31 C LIG 1 6.331 -0.075 -0.927 0.00 0.00 +0.009 A ATOM 32 C LIG 1 5.858 0.533 0.245 0.00 0.00 -0.017 A ATOM 33 C LIG 1 4.505 0.361 0.579 0.00 0.00 +0.009 A ATOM 34 C LIG 1 3.647 -0.371 -0.247 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 6.748 1.340 1.097 0.00 0.00 -0.004 A ATOM 36 C LIG 1 7.449 2.475 0.633 0.00 0.00 +0.067 A ATOM 37 C LIG 1 8.326 3.175 1.478 0.00 0.00 +0.015 A ATOM 38 C LIG 1 8.498 2.775 2.801 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.799 1.673 3.284 0.00 0.00 +0.001 A ATOM 40 C LIG 1 6.938 0.963 2.442 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 C LIG 1 7.331 2.994 -0.750 0.00 0.00 +0.337 C ATOM 42 O LIG 1 8.303 3.240 -1.444 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 6.062 3.246 -1.129 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 5.385 3.001 -0.469 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 10