REMARK Name = BDB060750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.914 -1.560 -1.060 0.00 0.00 -0.209 N ATOM 2 C LIG 1 -3.380 -0.263 -0.872 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -4.114 0.376 -1.610 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -2.845 0.144 0.328 0.00 0.00 -0.275 N ATOM 5 C LIG 1 -2.157 -0.912 0.798 0.00 0.00 +0.134 A ATOM 6 N LIG 1 -2.159 -1.956 0.017 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.302 -2.450 -2.126 0.00 0.00 +0.184 C BRANCH 7 12 ATOM 8 C LIG 1 -8.073 -5.487 -0.722 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -6.844 -4.721 -1.109 0.00 0.00 -0.050 A ATOM 10 C LIG 1 -6.955 -3.490 -1.765 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -5.812 -2.759 -2.099 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -4.537 -3.246 -1.781 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -4.430 -4.465 -1.099 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -5.573 -5.196 -0.765 0.00 0.00 +0.004 A ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 4 15 ATOM 15 C LIG 1 -3.125 1.438 0.922 0.00 0.00 +0.163 C BRANCH 15 16 ATOM 16 C LIG 1 -2.044 2.462 0.659 0.00 0.00 -0.028 A ATOM 17 C LIG 1 -1.485 3.189 1.721 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -0.477 4.128 1.489 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -0.012 4.366 0.192 0.00 0.00 -0.050 A ATOM 20 C LIG 1 1.053 5.392 -0.059 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -0.598 3.678 -0.875 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -1.604 2.736 -0.644 0.00 0.00 +0.005 A ENDBRANCH 15 16 ENDBRANCH 4 15 BRANCH 5 23 ATOM 23 C LIG 1 -1.418 -0.918 2.109 0.00 0.00 +0.077 C BRANCH 23 24 ATOM 24 C LIG 1 -0.035 -0.281 2.018 0.00 0.00 +0.012 C BRANCH 24 25 ATOM 25 C LIG 1 0.904 -0.994 1.040 0.00 0.00 +0.035 C BRANCH 25 26 ATOM 26 C LIG 1 2.260 -0.328 1.005 0.00 0.00 -0.047 A ATOM 27 C LIG 1 2.433 0.882 0.317 0.00 0.00 +0.007 A ATOM 28 C LIG 1 3.676 1.516 0.296 0.00 0.00 +0.046 A ATOM 29 C LIG 1 4.758 0.929 0.943 0.00 0.00 +0.122 A ATOM 30 C LIG 1 4.592 -0.251 1.664 0.00 0.00 +0.046 A ATOM 31 C LIG 1 3.348 -0.885 1.687 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 O LIG 1 5.977 1.546 0.975 0.00 0.00 -0.475 OA BRANCH 32 33 ATOM 33 C LIG 1 6.794 1.337 -0.188 0.00 0.00 +0.200 C ATOM 34 C LIG 1 8.243 1.487 0.313 0.00 0.00 +0.067 C ATOM 35 C LIG 1 6.538 2.471 -1.196 0.00 0.00 +0.067 C BRANCH 33 36 ATOM 36 C LIG 1 6.702 -0.025 -0.921 0.00 0.00 +0.348 C ATOM 37 O LIG 1 6.356 -0.212 -2.078 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 7.061 -1.081 -0.157 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 6.903 -1.854 -0.740 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 12