REMARK Name = BDB022865 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.551 1.805 2.041 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.888 0.557 1.215 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.899 0.859 -0.228 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.987 1.419 -0.900 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -2.831 1.998 -1.977 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.590 1.071 -0.864 0.00 0.00 +0.163 C ATOM 7 C LIG 1 0.556 0.280 -0.275 0.00 0.00 +0.067 A ATOM 8 C LIG 1 0.383 -0.484 0.862 0.00 0.00 -0.005 A ATOM 9 C LIG 1 1.501 -1.156 1.298 0.00 0.00 +0.120 A ATOM 10 N LIG 1 2.700 -1.074 0.698 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 2.784 -0.304 -0.392 0.00 0.00 +0.216 A ATOM 12 N LIG 1 1.753 0.385 -0.897 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -0.949 -0.621 1.525 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -4.389 1.240 -0.298 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.843 -0.229 -0.484 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.470 -0.479 -1.877 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -6.479 0.519 -2.263 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -7.051 0.187 -3.568 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -5.891 1.862 -2.291 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -5.375 2.254 -0.907 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -5.712 -0.720 0.673 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -7.028 -0.278 0.866 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -7.789 -0.737 1.944 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -7.247 -1.649 2.846 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.945 -2.107 2.667 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.184 -1.647 1.589 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 3.979 -0.167 -1.083 0.00 0.00 -0.311 N ATOM 28 H LIG 1 3.843 0.654 -1.664 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 5.194 -0.163 -0.267 0.00 0.00 +0.076 C ATOM 30 C LIG 1 5.661 -1.600 0.024 0.00 0.00 +0.037 C ATOM 31 C LIG 1 7.183 -1.752 0.014 0.00 0.00 +0.086 C ATOM 32 N LIG 1 7.816 -0.569 0.592 0.00 0.00 -0.299 NA ATOM 33 C LIG 1 7.592 0.636 -0.211 0.00 0.00 +0.086 C ATOM 34 C LIG 1 6.288 0.602 -1.016 0.00 0.00 +0.037 C BRANCH 32 35 ATOM 35 C LIG 1 9.178 -0.820 1.087 0.00 0.00 +0.057 C ATOM 36 C LIG 1 10.260 0.224 1.117 0.00 0.00 +0.020 C ATOM 37 C LIG 1 10.351 -0.924 0.151 0.00 0.00 +0.020 C ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 5