REMARK Name = BDB062805 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.278 1.119 0.469 0.00 0.00 +0.133 C ATOM 2 C LIG 1 -3.204 0.349 1.276 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -1.782 0.339 0.779 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.952 0.924 1.729 0.00 0.00 +0.039 A ATOM 5 C LIG 1 0.406 1.042 1.544 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.940 0.549 0.346 0.00 0.00 +0.025 A ATOM 7 C LIG 1 0.128 -0.031 -0.653 0.00 0.00 +0.028 A ATOM 8 N LIG 1 -1.687 1.320 2.834 0.00 0.00 -0.283 N ATOM 9 H LIG 1 -1.315 1.758 3.664 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -1.249 -0.164 -0.400 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -3.037 1.026 2.677 0.00 0.00 +0.243 C ATOM 12 O LIG 1 -3.908 1.253 3.503 0.00 0.00 -0.273 OA ATOM 13 N LIG 1 -3.758 -1.008 1.353 0.00 0.00 -0.272 NA ATOM 14 C LIG 1 -5.211 -0.909 1.270 0.00 0.00 +0.069 C ATOM 15 C LIG 1 -5.703 -2.333 1.087 0.00 0.00 +0.089 C ATOM 16 S LIG 1 -4.655 -3.260 2.266 0.00 0.00 -0.144 S ATOM 17 C LIG 1 -3.425 -1.910 2.429 0.00 0.00 +0.155 C ATOM 18 C LIG 1 -5.343 0.059 0.114 0.00 0.00 +0.037 C ENDROOT BRANCH 1 19 ATOM 19 C LIG 1 -3.740 1.848 -0.734 0.00 0.00 +0.313 C ATOM 20 O LIG 1 -3.885 1.502 -1.898 0.00 0.00 -0.250 OA BRANCH 19 22 ATOM 21 C LIG 1 -2.491 3.716 -1.397 0.00 0.00 +0.280 C ATOM 22 O LIG 1 -3.076 2.969 -0.330 0.00 0.00 -0.468 OA ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 23 ATOM 23 N LIG 1 0.632 -0.604 -1.825 0.00 0.00 -0.340 N ATOM 24 H LIG 1 -0.064 -0.608 -2.567 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 1.966 -0.270 -2.321 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 3.055 -1.139 -1.714 0.00 0.00 +0.011 A ATOM 27 C LIG 1 4.373 -0.649 -1.588 0.00 0.00 +0.128 A ATOM 28 C LIG 1 5.377 -1.472 -1.065 0.00 0.00 +0.078 A ATOM 29 C LIG 1 5.068 -2.782 -0.669 0.00 0.00 +0.130 A ATOM 30 C LIG 1 3.771 -3.283 -0.796 0.00 0.00 +0.033 A ATOM 31 C LIG 1 2.776 -2.464 -1.326 0.00 0.00 +0.011 A BRANCH 29 32 ATOM 32 N LIG 1 6.125 -3.644 -0.123 0.00 0.00 +0.057 N ATOM 33 O LIG 1 5.806 -4.775 0.268 0.00 0.00 -0.126 OA ATOM 34 O LIG 1 7.277 -3.188 -0.088 0.00 0.00 -0.126 OA ENDBRANCH 29 32 BRANCH 27 35 ATOM 35 O LIG 1 4.571 0.634 -2.027 0.00 0.00 -0.480 OA BRANCH 35 36 ATOM 36 C LIG 1 5.754 1.317 -1.637 0.00 0.00 +0.349 C BRANCH 36 37 ATOM 37 C LIG 1 5.885 1.645 -0.158 0.00 0.00 +0.343 C ATOM 38 O LIG 1 6.927 1.667 0.478 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 4.719 1.972 0.437 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 4.972 2.169 1.363 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 27 35 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 7 23 TORSDOF 10