REMARK Name = BDB056104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.465 1.752 1.202 0.00 0.00 +0.133 A ATOM 2 C LIG 1 -0.070 1.801 1.074 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.455 2.851 0.338 0.00 0.00 +0.233 A ATOM 4 O LIG 1 1.812 2.759 0.300 0.00 0.00 -0.437 OA ATOM 5 C LIG 1 2.176 1.654 1.018 0.00 0.00 +0.138 A ATOM 6 N LIG 1 -0.223 3.834 -0.268 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.539 3.700 -0.076 0.00 0.00 +0.227 A ATOM 8 C LIG 1 1.044 1.036 1.515 0.00 0.00 +0.063 A ATOM 9 N LIG 1 -2.183 2.733 0.607 0.00 0.00 -0.220 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.609 1.381 1.102 0.00 0.00 +0.018 A ATOM 11 C LIG 1 4.089 0.300 1.854 0.00 0.00 +0.015 A ATOM 12 C LIG 1 5.461 0.037 1.932 0.00 0.00 +0.046 A ATOM 13 C LIG 1 6.383 0.841 1.261 0.00 0.00 +0.121 A ATOM 14 C LIG 1 5.920 1.920 0.513 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.545 2.185 0.435 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 O LIG 1 7.688 0.472 1.425 0.00 0.00 -0.491 OA BRANCH 16 17 ATOM 17 C LIG 1 8.671 1.200 0.684 0.00 0.00 +0.244 C BRANCH 17 18 ATOM 18 C LIG 1 10.066 0.612 0.975 0.00 0.00 +0.125 C BRANCH 18 19 ATOM 19 N LIG 1 10.283 -0.740 0.428 0.00 0.00 -0.299 NA ATOM 20 C LIG 1 10.424 -0.782 -1.034 0.00 0.00 +0.087 C ATOM 21 C LIG 1 11.871 -0.918 -1.510 0.00 0.00 +0.046 C ATOM 22 C LIG 1 12.532 -2.174 -0.937 0.00 0.00 +0.117 C ATOM 23 C LIG 1 11.882 -2.635 0.365 0.00 0.00 +0.046 C ATOM 24 C LIG 1 11.356 -1.439 1.149 0.00 0.00 +0.087 C BRANCH 22 25 ATOM 25 O LIG 1 12.470 -3.244 -1.878 0.00 0.00 -0.392 OA ATOM 26 H LIG 1 12.955 -2.967 -2.674 0.00 0.00 +0.210 HD ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 27 ATOM 27 N LIG 1 -2.104 0.743 1.916 0.00 0.00 -0.328 N ATOM 28 H LIG 1 -1.550 -0.099 2.019 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.528 0.534 1.675 0.00 0.00 +0.107 C BRANCH 29 30 ATOM 30 C LIG 1 -3.783 -0.165 0.334 0.00 0.00 +0.054 C BRANCH 30 34 ATOM 31 C LIG 1 -7.994 -1.003 -0.242 0.00 0.00 +0.035 A ATOM 32 C LIG 1 -7.133 -1.988 0.258 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -5.771 -1.724 0.441 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.247 -0.467 0.126 0.00 0.00 -0.046 A ATOM 35 C LIG 1 -6.109 0.520 -0.362 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.471 0.255 -0.543 0.00 0.00 +0.023 A BRANCH 31 39 ATOM 37 O LIG 1 -10.177 0.439 -1.615 0.00 0.00 -0.252 OA ATOM 38 C LIG 1 -10.353 -0.606 -1.003 0.00 0.00 +0.308 C ATOM 39 N LIG 1 -9.354 -1.347 -0.386 0.00 0.00 -0.269 N ATOM 40 H LIG 1 -9.594 -2.297 -0.153 0.00 0.00 +0.156 HD ATOM 41 N LIG 1 -11.582 -1.227 -0.823 0.00 0.00 -0.269 N ATOM 42 H LIG 1 -11.620 -1.922 -0.094 0.00 0.00 +0.156 HD BRANCH 41 43 ATOM 43 C LIG 1 -12.822 -0.859 -1.385 0.00 0.00 +0.035 A ATOM 44 C LIG 1 -12.971 0.104 -2.384 0.00 0.00 +0.023 A ATOM 45 C LIG 1 -14.236 0.404 -2.899 0.00 0.00 +0.002 A ATOM 46 C LIG 1 -15.364 -0.262 -2.423 0.00 0.00 +0.000 A ATOM 47 C LIG 1 -15.226 -1.230 -1.433 0.00 0.00 +0.002 A ATOM 48 C LIG 1 -13.962 -1.529 -0.919 0.00 0.00 +0.023 A ENDBRANCH 41 43 ENDBRANCH 31 39 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 12