REMARK Name = BDB046829 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.254 1.488 -1.876 0.00 0.00 -0.045 A ATOM 2 C LIG 1 -0.368 0.566 -1.305 0.00 0.00 +0.007 A ATOM 3 C LIG 1 1.011 0.671 -1.519 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.523 1.703 -2.305 0.00 0.00 +0.121 A ATOM 5 C LIG 1 0.640 2.624 -2.873 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.737 2.521 -2.664 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.741 1.382 -1.619 0.00 0.00 +0.073 C BRANCH 7 8 ATOM 8 CA LIG 1 -3.166 2.079 -0.318 0.00 0.00 +0.217 C BRANCH 8 11 ATOM 9 C LIG 1 -3.446 0.176 1.863 0.00 0.00 +0.061 C ATOM 10 C LIG 1 -4.597 0.716 1.050 0.00 0.00 +0.019 C ATOM 11 N LIG 1 -4.490 1.566 0.085 0.00 0.00 -0.277 NA BRANCH 10 12 ATOM 12 C LIG 1 -5.989 0.233 1.402 0.00 0.00 +0.129 C BRANCH 12 13 ATOM 13 C LIG 1 -6.232 -1.214 1.039 0.00 0.00 +0.169 C ATOM 14 O LIG 1 -5.314 -1.977 0.741 0.00 0.00 -0.292 OA BRANCH 13 15 ATOM 15 C LIG 1 -7.633 -1.734 1.067 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -8.690 -1.005 1.628 0.00 0.00 +0.011 A ATOM 17 C LIG 1 -9.983 -1.535 1.629 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -10.228 -2.790 1.073 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -9.180 -3.523 0.519 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -7.886 -2.998 0.518 0.00 0.00 +0.011 A ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 8 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.310 3.587 -0.512 0.00 0.00 +0.330 C ATOM 22 O LIG 1 -3.384 4.211 -1.559 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 OXT LIG 1 -3.376 4.251 0.667 0.00 0.00 -0.479 OA ATOM 24 HXT LIG 1 -3.512 5.181 0.391 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 8 21 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 O LIG 1 2.840 1.933 -2.589 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 3.822 1.027 -2.082 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 4.259 1.433 -0.675 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 5.186 0.446 -0.071 0.00 0.00 +0.086 A ATOM 29 C LIG 1 4.982 -0.428 0.974 0.00 0.00 +0.126 A ATOM 30 C LIG 1 3.857 -0.733 1.874 0.00 0.00 +0.088 C ATOM 31 O LIG 1 6.136 -1.135 1.161 0.00 0.00 -0.440 OA ATOM 32 C LIG 1 6.994 -0.649 0.208 0.00 0.00 +0.228 A ATOM 33 N LIG 1 6.467 0.295 -0.551 0.00 0.00 -0.214 NA BRANCH 32 34 ATOM 34 C LIG 1 8.333 -1.230 0.165 0.00 0.00 +0.037 A ATOM 35 C LIG 1 9.259 -0.765 -0.782 0.00 0.00 +0.013 A ATOM 36 C LIG 1 10.546 -1.304 -0.849 0.00 0.00 +0.001 A ATOM 37 C LIG 1 10.925 -2.315 0.031 0.00 0.00 +0.000 A ATOM 38 C LIG 1 10.018 -2.788 0.978 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.730 -2.249 1.044 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 13