REMARK Name = BDB058778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.035 0.038 2.182 0.00 0.00 +0.056 A ATOM 2 C UNK A 0 0.066 -0.911 1.133 0.00 0.00 +0.006 A ATOM 3 C UNK A 0 -0.864 -0.776 0.062 0.00 0.00 +0.005 A ATOM 4 C UNK A 0 -0.772 -1.707 -1.004 0.00 0.00 +0.010 A ATOM 5 C UNK A 0 0.163 -2.743 -1.017 0.00 0.00 +0.001 A ATOM 6 C UNK A 0 1.046 -2.883 0.039 0.00 0.00 +0.001 A ATOM 7 C UNK A 0 -1.836 0.277 0.081 0.00 0.00 +0.036 A ATOM 8 C UNK A 0 -1.784 1.218 1.117 0.00 0.00 +0.025 A ATOM 9 C UNK A 0 0.999 -1.978 1.097 0.00 0.00 +0.010 A ATOM 10 C UNK A 0 -0.870 1.095 2.160 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 N UNK A 0 0.969 -0.011 3.263 0.00 0.00 -0.216 N ATOM 12 H UNK A 0 1.233 -0.920 3.634 0.00 0.00 +0.174 HD BRANCH 11 13 ATOM 13 S UNK A 0 2.216 1.123 3.336 0.00 0.00 +0.072 S ATOM 14 O UNK A 0 3.126 0.641 4.356 0.00 0.00 -0.150 OA ATOM 15 O UNK A 0 1.656 2.455 3.408 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C UNK A 0 4.349 0.702 -0.687 0.00 0.00 +0.120 A ATOM 17 C UNK A 0 3.282 1.593 -0.542 0.00 0.00 +0.047 A ATOM 18 C UNK A 0 2.628 1.731 0.683 0.00 0.00 +0.032 A ATOM 19 C UNK A 0 3.036 0.953 1.768 0.00 0.00 +0.109 A ATOM 20 C UNK A 0 4.116 0.074 1.642 0.00 0.00 +0.032 A ATOM 21 C UNK A 0 4.767 -0.054 0.411 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C UNK A 0 5.982 -0.226 -2.146 0.00 0.00 +0.277 C ATOM 23 O UNK A 0 4.897 0.669 -1.940 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 24 ATOM 24 N ASP A 1 -2.743 0.406 -0.990 0.00 0.00 -0.331 N ATOM 25 H ASP A 1 -3.063 -0.522 -1.286 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 CA ASP A 1 -3.896 1.334 -0.945 0.00 0.00 +0.190 C BRANCH 26 27 ATOM 27 C ASP A 1 -4.960 0.878 0.060 0.00 0.00 +0.326 C ATOM 28 O ASP A 1 -5.186 -0.265 0.427 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 OXT ASP A 1 -5.718 1.900 0.508 0.00 0.00 -0.479 OA ATOM 30 HXT ASP A 1 -6.364 1.472 1.112 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 CB ASP A 1 -4.513 1.447 -2.338 0.00 0.00 +0.154 C BRANCH 31 32 ATOM 32 CG ASP A 1 -5.393 0.280 -2.676 0.00 0.00 +0.307 C ATOM 33 OD1 ASP A 1 -6.596 0.326 -2.866 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 OD2 ASP A 1 -4.724 -0.885 -2.764 0.00 0.00 -0.481 OA ATOM 35 HD2 ASP A 1 -5.420 -1.548 -2.966 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 24 26 ENDBRANCH 7 24 TORSDOF 11