REMARK Name = BDB011728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.127 -0.465 -0.305 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -2.545 -0.171 -0.710 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -3.469 -0.663 -0.047 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -2.760 0.640 -1.829 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.768 1.186 -2.767 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.407 0.778 -2.957 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.340 1.415 -3.984 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.152 2.463 -4.756 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.428 2.916 -4.527 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.280 -0.284 -2.246 0.00 0.00 -0.266 N ATOM 11 C LIG 1 1.683 -0.232 -2.007 0.00 0.00 +0.246 C ATOM 12 O LIG 1 2.390 0.749 -2.254 0.00 0.00 -0.273 OA ATOM 13 C LIG 1 -2.210 2.288 -3.556 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.543 -1.207 -1.490 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -0.108 -1.152 1.848 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -1.108 -1.272 0.908 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -1.956 -1.770 1.156 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 0.880 -0.439 1.670 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -0.320 -2.023 3.102 0.00 0.00 +0.137 C ATOM 20 C LIG 1 0.516 -1.537 4.283 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 1.250 -3.792 2.387 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -0.123 -3.463 2.778 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -0.349 -4.000 3.614 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 -4.187 0.845 -2.123 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -5.026 1.811 -1.272 0.00 0.00 -0.019 A ATOM 26 C LIG 1 -4.512 2.824 -0.376 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -5.441 3.585 0.391 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -5.009 4.570 1.299 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -3.659 4.849 1.474 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -2.726 4.147 0.735 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.814 3.374 0.262 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -7.312 2.438 -0.632 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -3.148 3.162 -0.168 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -6.444 1.669 -1.411 0.00 0.00 -0.045 A ATOM 35 C LIG 1 -7.076 0.671 -2.357 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 2.329 -1.512 -1.418 0.00 0.00 +0.256 C BRANCH 36 37 ATOM 37 O LIG 1 3.746 -1.560 -1.400 0.00 0.00 -0.368 OA BRANCH 37 38 ATOM 38 C LIG 1 4.304 -0.864 -0.285 0.00 0.00 +0.188 C BRANCH 38 39 ATOM 39 C LIG 1 5.827 -0.975 -0.359 0.00 0.00 +0.188 C BRANCH 39 40 ATOM 40 O LIG 1 6.452 -0.511 0.842 0.00 0.00 -0.375 OA BRANCH 40 41 ATOM 41 C LIG 1 6.623 -1.538 1.820 0.00 0.00 +0.188 C BRANCH 41 42 ATOM 42 C LIG 1 7.918 -2.317 1.582 0.00 0.00 +0.187 C BRANCH 42 43 ATOM 43 O LIG 1 8.069 -3.404 2.494 0.00 0.00 -0.381 OA ATOM 44 C LIG 1 8.626 -3.006 3.741 0.00 0.00 +0.194 C ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 13