REMARK Name = BDB020435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.039 -0.953 -1.409 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.698 -0.850 -1.028 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.600 -1.508 -1.154 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.471 -0.595 -0.350 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.731 0.570 0.281 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -1.222 1.927 -0.227 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -0.702 0.491 1.812 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.815 -0.878 -0.369 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -3.621 -0.022 0.319 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -3.228 0.348 1.165 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.270 -1.830 -1.000 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.613 0.268 -0.260 0.00 0.00 +0.066 A ATOM 13 N LIG 1 1.845 0.807 -0.197 0.00 0.00 -0.277 N ATOM 14 H LIG 1 2.171 1.638 0.286 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.736 0.084 -0.912 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.844 -2.175 -2.591 0.00 0.00 +0.253 C ATOM 17 N LIG 1 2.544 -1.952 -2.209 0.00 0.00 -0.265 N ATOM 18 H LIG 1 1.881 -2.582 -2.634 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 4.093 -2.974 -3.496 0.00 0.00 -0.270 OA BRANCH 16 23 ATOM 20 C LIG 1 7.161 -0.144 -0.827 0.00 0.00 +0.037 A ATOM 21 C LIG 1 6.420 -1.054 -0.062 0.00 0.00 +0.069 A ATOM 22 C LIG 1 5.320 -1.730 -0.610 0.00 0.00 +0.134 A ATOM 23 C LIG 1 4.969 -1.476 -1.944 0.00 0.00 +0.079 A ATOM 24 C LIG 1 5.721 -0.595 -2.728 0.00 0.00 +0.018 A ATOM 25 C LIG 1 6.809 0.072 -2.166 0.00 0.00 +0.024 A BRANCH 20 27 ATOM 26 C LIG 1 8.751 0.595 0.955 0.00 0.00 +0.241 C ATOM 27 N LIG 1 8.276 0.568 -0.337 0.00 0.00 -0.282 N ATOM 28 H LIG 1 8.742 1.169 -1.004 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 8.252 0.077 1.946 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 10.957 1.556 0.232 0.00 0.00 +0.013 C ATOM 31 C LIG 1 9.975 1.425 1.135 0.00 0.00 +0.060 C ENDBRANCH 26 31 ENDBRANCH 20 27 BRANCH 22 32 ATOM 32 O LIG 1 4.576 -2.668 0.061 0.00 0.00 -0.494 OA ATOM 33 C LIG 1 4.693 -2.685 1.478 0.00 0.00 +0.277 C ENDBRANCH 22 32 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 34 ATOM 34 C LIG 1 -5.070 -0.229 0.378 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 C LIG 1 -5.617 0.602 1.533 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -6.052 -0.035 2.707 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.520 0.710 3.790 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.554 2.101 3.719 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.119 2.748 2.565 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.649 2.005 1.480 0.00 0.00 +0.005 A ENDBRANCH 34 35 BRANCH 34 41 ATOM 41 C LIG 1 -5.755 0.078 -0.995 0.00 0.00 +0.111 C BRANCH 41 42 ATOM 42 N LIG 1 -7.230 -0.063 -1.035 0.00 0.00 -0.306 NA ATOM 43 C LIG 1 -7.745 0.442 -2.309 0.00 0.00 +0.104 C ATOM 44 C LIG 1 -7.640 -1.457 -0.853 0.00 0.00 +0.104 C ENDBRANCH 41 42 ENDBRANCH 34 41 ENDBRANCH 9 34 TORSDOF 9