REMARK Name = BDB065103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.556 0.220 0.319 0.00 0.00 +0.162 A ATOM 2 C LIG 1 2.654 -0.496 -0.177 0.00 0.00 +0.164 A ATOM 3 C LIG 1 2.495 -1.272 -1.327 0.00 0.00 +0.077 A ATOM 4 C LIG 1 1.277 -1.380 -1.983 0.00 0.00 +0.078 A ATOM 5 C LIG 1 0.146 -0.703 -1.475 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.099 -0.868 -2.156 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -1.100 -1.604 -3.341 0.00 0.00 +0.062 A ATOM 8 C LIG 1 0.071 -2.216 -3.758 0.00 0.00 +0.142 A ATOM 9 N LIG 1 1.240 -2.130 -3.091 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 0.319 0.109 -0.325 0.00 0.00 +0.061 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 0.754 1.863 1.862 0.00 0.00 +0.277 C ATOM 12 O LIG 1 1.784 0.982 1.436 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 8 13 ATOM 13 C LIG 1 0.093 -3.005 -4.959 0.00 0.00 +0.119 C ATOM 14 N LIG 1 0.066 -3.635 -5.935 0.00 0.00 -0.189 NA ENDBRANCH 8 13 BRANCH 6 15 ATOM 15 N LIG 1 -2.247 -0.207 -1.691 0.00 0.00 -0.340 N ATOM 16 H LIG 1 -2.261 -0.143 -0.677 0.00 0.00 +0.146 HD BRANCH 15 17 ATOM 17 C LIG 1 -3.593 -0.406 -2.254 0.00 0.00 +0.073 C ATOM 18 C LIG 1 -4.496 0.759 -1.832 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -4.932 0.674 -0.370 0.00 0.00 +0.086 C ATOM 20 N LIG 1 -5.564 -0.622 -0.079 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 -4.637 -1.728 -0.349 0.00 0.00 +0.086 C ATOM 22 C LIG 1 -4.203 -1.739 -1.814 0.00 0.00 +0.037 C BRANCH 20 23 ATOM 23 C LIG 1 -6.038 -0.690 1.318 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 C LIG 1 -7.199 0.237 1.609 0.00 0.00 -0.033 A ATOM 25 C LIG 1 -8.379 0.160 0.854 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -9.456 1.003 1.131 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -9.368 1.929 2.169 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -8.204 2.011 2.930 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -7.125 1.169 2.654 0.00 0.00 +0.005 A ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 15 17 ENDBRANCH 6 15 BRANCH 2 30 ATOM 30 O LIG 1 3.830 -0.344 0.509 0.00 0.00 -0.488 OA BRANCH 30 31 ATOM 31 C LIG 1 4.951 -1.170 0.191 0.00 0.00 +0.230 C BRANCH 31 32 ATOM 32 C LIG 1 5.835 -0.522 -0.876 0.00 0.00 +0.056 C BRANCH 32 33 ATOM 33 C LIG 1 6.482 0.788 -0.408 0.00 0.00 +0.087 C BRANCH 33 34 ATOM 34 N LIG 1 7.435 0.602 0.690 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 7.885 1.882 1.241 0.00 0.00 +0.084 C ATOM 36 C LIG 1 9.080 1.484 2.091 0.00 0.00 +0.017 C ATOM 37 C LIG 1 9.625 0.220 1.436 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.664 -0.089 0.296 0.00 0.00 +0.084 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 11