REMARK Name = BDB007149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.332 1.732 -2.204 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.395 0.508 -1.762 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.098 -0.491 -0.871 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.897 -1.460 -0.728 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.703 -2.597 0.080 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.512 -2.738 0.757 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.514 -1.774 0.644 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.980 -1.057 -1.504 0.00 0.00 -0.337 N ATOM 9 C LIG 1 -1.321 -0.656 -0.181 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.670 0.127 -2.156 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.591 0.841 -3.089 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.788 -1.988 1.386 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.491 -0.856 1.730 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.061 0.052 1.623 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.150 -3.123 1.678 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.732 -0.918 2.483 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.450 -1.120 3.974 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.563 0.311 2.149 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.307 0.311 0.950 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.077 1.411 0.528 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -7.071 2.536 1.367 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -6.335 2.567 2.553 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.580 1.464 2.939 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -7.876 1.434 -0.761 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -8.466 0.180 -1.357 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -7.303 0.850 -2.030 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 3.226 -1.846 -1.625 0.00 0.00 +0.114 C ATOM 28 C LIG 1 3.208 -2.680 -2.913 0.00 0.00 +0.036 C BRANCH 27 29 ATOM 29 C LIG 1 4.479 -1.022 -1.350 0.00 0.00 -0.022 A ATOM 30 C LIG 1 4.624 -0.395 -0.097 0.00 0.00 +0.051 A ATOM 31 C LIG 1 5.761 0.355 0.226 0.00 0.00 +0.122 A ATOM 32 C LIG 1 6.774 0.491 -0.719 0.00 0.00 +0.046 A ATOM 33 C LIG 1 6.654 -0.129 -1.964 0.00 0.00 +0.004 A ATOM 34 C LIG 1 5.521 -0.883 -2.276 0.00 0.00 +0.006 A BRANCH 31 35 ATOM 35 O LIG 1 5.744 0.892 1.483 0.00 0.00 -0.478 OA BRANCH 35 36 ATOM 36 C LIG 1 6.917 1.546 1.958 0.00 0.00 +0.278 C ATOM 37 C LIG 1 6.548 2.262 3.254 0.00 0.00 +0.064 C BRANCH 36 38 ATOM 38 C LIG 1 8.087 0.607 2.244 0.00 0.00 +0.346 C ATOM 39 O LIG 1 9.246 0.790 1.903 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 7.752 -0.494 2.948 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 8.585 -1.004 3.024 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 27 29 ENDBRANCH 8 27 TORSDOF 10