REMARK Name = BDB032124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.915 -0.355 0.688 0.00 0.00 +0.069 A ATOM 2 C LIG 1 0.085 0.738 0.415 0.00 0.00 +0.146 A ATOM 3 F LIG 1 0.636 1.943 0.194 0.00 0.00 -0.203 F ATOM 4 C LIG 1 -1.302 0.615 0.363 0.00 0.00 +0.063 A ATOM 5 C LIG 1 -1.898 -0.627 0.586 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -1.079 -1.726 0.858 0.00 0.00 +0.025 A ATOM 7 C LIG 1 0.319 -1.593 0.909 0.00 0.00 +0.028 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 3.317 -1.018 0.991 0.00 0.00 +0.222 C ATOM 9 N LIG 1 2.307 -0.114 0.713 0.00 0.00 -0.283 N ATOM 10 H LIG 1 2.566 0.854 0.544 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.160 -2.201 1.270 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 12 C LIG 1 6.715 1.156 -1.926 0.00 0.00 +0.239 C ATOM 13 N LIG 1 6.360 0.409 -0.812 0.00 0.00 -0.297 N ATOM 14 C LIG 1 5.059 -0.242 -0.613 0.00 0.00 +0.120 C ATOM 15 C LIG 1 4.706 -0.394 0.870 0.00 0.00 +0.093 C ATOM 16 C LIG 1 5.784 -1.196 1.616 0.00 0.00 +0.016 C ATOM 17 C LIG 1 7.188 -0.993 1.042 0.00 0.00 +0.020 C ATOM 18 C LIG 1 7.322 0.324 0.287 0.00 0.00 +0.108 C ATOM 19 O LIG 1 7.729 1.848 -1.971 0.00 0.00 -0.271 OA BRANCH 12 21 ATOM 20 C LIG 1 5.851 2.012 -4.059 0.00 0.00 +0.013 C ATOM 21 C LIG 1 5.808 1.074 -3.104 0.00 0.00 +0.060 C ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 9 BRANCH 5 22 ATOM 22 N LIG 1 -3.300 -0.691 0.520 0.00 0.00 -0.280 N ATOM 23 H LIG 1 -3.806 0.166 0.319 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 -4.117 -1.793 0.698 0.00 0.00 +0.267 C ATOM 25 O LIG 1 -3.766 -2.940 0.946 0.00 0.00 -0.268 OA BRANCH 24 26 ATOM 26 C LIG 1 -5.577 -1.470 0.553 0.00 0.00 +0.126 A ATOM 27 N LIG 1 -5.882 -0.166 0.277 0.00 0.00 -0.241 NA ATOM 28 C LIG 1 -7.200 0.125 0.146 0.00 0.00 +0.089 A ATOM 29 C LIG 1 -8.209 -0.824 0.279 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -7.862 -2.143 0.560 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.521 -2.478 0.702 0.00 0.00 +0.033 A BRANCH 28 32 ATOM 32 C LIG 1 -7.483 1.522 -0.148 0.00 0.00 +0.084 A ATOM 33 N LIG 1 -6.489 2.459 -0.265 0.00 0.00 -0.275 N ATOM 34 H LIG 1 -5.494 2.301 -0.167 0.00 0.00 +0.189 HD ATOM 35 N LIG 1 -6.926 3.700 -0.539 0.00 0.00 -0.182 NA ATOM 36 C LIG 1 -8.250 3.555 -0.599 0.00 0.00 +0.135 A ATOM 37 C LIG 1 -8.652 2.227 -0.364 0.00 0.00 +0.050 A ENDBRANCH 28 32 ENDBRANCH 24 26 ENDBRANCH 5 22 TORSDOF 6