REMARK Name = BDB031735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.485 -2.448 1.052 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.044 -2.017 2.318 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.785 -1.412 2.420 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.940 -1.225 1.336 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.222 -0.587 1.874 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -0.087 -0.374 3.186 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.365 -1.669 0.071 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.107 -0.898 3.490 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.410 -0.866 4.456 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.625 -2.277 -0.046 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.413 1.051 -1.393 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.291 0.014 -0.456 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.861 -1.222 -0.725 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.933 -2.516 0.034 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.829 -3.117 0.880 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.763 -3.415 -0.854 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.078 -2.688 -1.988 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.636 -3.066 -2.738 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.080 -4.564 -0.596 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.073 -2.545 1.529 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.561 -1.393 -1.928 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.702 -0.399 -2.873 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.114 0.839 -2.595 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.926 3.324 -1.909 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.806 2.220 -1.021 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.270 -0.231 1.096 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.244 -0.466 0.111 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.591 0.105 1.480 0.00 0.00 +0.173 A ATOM 29 C LIG 1 -3.412 0.718 0.528 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -4.716 1.058 0.900 0.00 0.00 +0.170 A ATOM 31 N LIG 1 -5.139 0.858 2.160 0.00 0.00 -0.200 NA ATOM 32 C LIG 1 -4.267 0.291 3.017 0.00 0.00 +0.236 A ATOM 33 N LIG 1 -3.023 -0.107 2.731 0.00 0.00 -0.199 NA BRANCH 30 34 ATOM 34 N LIG 1 -5.628 1.615 -0.031 0.00 0.00 -0.309 N ATOM 35 C LIG 1 -6.769 2.327 0.583 0.00 0.00 +0.129 C ATOM 36 C LIG 1 -7.978 1.433 0.747 0.00 0.00 +0.185 C ATOM 37 S LIG 1 -8.589 0.998 -0.866 0.00 0.00 -0.028 S ATOM 38 O LIG 1 -9.505 2.040 -1.293 0.00 0.00 -0.174 OA ATOM 39 O LIG 1 -9.014 -0.388 -0.826 0.00 0.00 -0.174 OA ATOM 40 C LIG 1 -7.155 1.093 -1.912 0.00 0.00 +0.185 C ATOM 41 C LIG 1 -5.935 0.667 -1.126 0.00 0.00 +0.129 C ENDBRANCH 30 34 BRANCH 29 42 ATOM 42 O LIG 1 -2.912 0.930 -0.735 0.00 0.00 -0.489 OA ATOM 43 C LIG 1 -2.548 2.305 -0.887 0.00 0.00 +0.277 C ENDBRANCH 29 42 BRANCH 32 44 ATOM 44 C LIG 1 -4.728 0.085 4.365 0.00 0.00 +0.140 C ATOM 45 N LIG 1 -5.126 -0.071 5.448 0.00 0.00 -0.188 NA ENDBRANCH 32 44 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7