REMARK Name = BDB049311 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.208 -0.997 2.344 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.973 -0.708 1.645 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -2.229 -0.771 2.265 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -2.278 -1.139 3.631 0.00 0.00 -0.029 A ATOM 5 C LIG 1 -3.582 -1.207 4.384 0.00 0.00 +0.045 C ATOM 6 C LIG 1 -1.094 -1.462 4.318 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.141 -1.394 3.679 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.664 0.086 0.735 0.00 0.00 -0.281 N ATOM 9 H LIG 1 0.876 0.715 0.637 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 1.545 -0.910 1.689 0.00 0.00 +0.248 C ATOM 11 O LIG 1 2.425 -1.679 2.056 0.00 0.00 -0.270 OA BRANCH 8 16 ATOM 12 C LIG 1 5.046 -0.027 -0.899 0.00 0.00 +0.050 A ATOM 13 C LIG 1 4.926 1.087 -1.742 0.00 0.00 +0.038 A ATOM 14 C LIG 1 3.743 1.844 -1.766 0.00 0.00 +0.059 A ATOM 15 C LIG 1 2.684 1.484 -0.919 0.00 0.00 +0.035 A ATOM 16 C LIG 1 2.786 0.378 -0.069 0.00 0.00 +0.036 A ATOM 17 C LIG 1 3.965 -0.374 -0.069 0.00 0.00 +0.049 A BRANCH 12 22 ATOM 18 C LIG 1 9.639 -1.838 -1.800 0.00 0.00 +0.067 C ATOM 19 C LIG 1 8.274 -1.585 -1.291 0.00 0.00 +0.056 A ATOM 20 N LIG 1 7.731 -2.391 -0.329 0.00 0.00 -0.241 NA ATOM 21 C LIG 1 6.530 -1.903 -0.105 0.00 0.00 +0.204 A ATOM 22 N LIG 1 6.247 -0.799 -0.883 0.00 0.00 -0.306 N ATOM 23 C LIG 1 7.380 -0.599 -1.647 0.00 0.00 +0.115 A ENDBRANCH 12 22 BRANCH 14 24 ATOM 24 C LIG 1 3.621 3.054 -2.660 0.00 0.00 +0.418 C ATOM 25 F LIG 1 3.997 4.200 -2.032 0.00 0.00 -0.166 F ATOM 26 F LIG 1 2.347 3.265 -3.095 0.00 0.00 -0.166 F ATOM 27 F LIG 1 4.387 2.969 -3.783 0.00 0.00 -0.166 F ENDBRANCH 14 24 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 3 28 ATOM 28 N LIG 1 -3.408 -0.415 1.593 0.00 0.00 -0.283 N ATOM 29 H LIG 1 -4.279 -0.723 1.998 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.679 0.167 0.357 0.00 0.00 +0.220 A ATOM 31 N LIG 1 -4.978 0.196 0.021 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 -5.330 0.747 -1.164 0.00 0.00 +0.077 A ATOM 33 C LIG 1 -4.386 1.290 -2.011 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -3.083 1.229 -1.582 0.00 0.00 +0.116 A ATOM 35 N LIG 1 -2.710 0.679 -0.415 0.00 0.00 -0.223 NA BRANCH 32 36 ATOM 36 C LIG 1 -6.772 0.734 -1.467 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -7.272 0.665 -2.769 0.00 0.00 +0.120 A ATOM 38 N LIG 1 -8.587 0.663 -3.105 0.00 0.00 -0.263 NA ATOM 39 C LIG 1 -9.470 0.719 -2.088 0.00 0.00 +0.111 A ATOM 40 C LIG 1 -9.100 0.776 -0.758 0.00 0.00 +0.020 A ATOM 41 C LIG 1 -7.739 0.783 -0.451 0.00 0.00 +0.013 A ENDBRANCH 32 36 ENDBRANCH 28 30 ENDBRANCH 3 28 TORSDOF 7