REMARK Name = BDB048183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.702 2.180 0.181 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.511 1.494 0.014 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -5.379 0.109 0.439 0.00 0.00 +0.146 C ATOM 4 C LIG 1 -3.977 -0.472 0.378 0.00 0.00 -0.020 A ATOM 5 C LIG 1 -2.886 0.328 -0.052 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.572 -0.183 -0.048 0.00 0.00 +0.124 A ATOM 7 C LIG 1 -1.354 -1.500 0.349 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -2.424 -2.303 0.745 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -3.129 1.765 -0.463 0.00 0.00 +0.058 C ATOM 10 C LIG 1 -3.740 -1.812 0.762 0.00 0.00 -0.042 A ATOM 11 C LIG 1 -4.551 1.979 -0.959 0.00 0.00 +0.116 C ATOM 12 O LIG 1 -6.944 3.270 -0.322 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 -7.584 1.498 0.965 0.00 0.00 -0.450 OA BRANCH 13 14 ATOM 14 C LIG 1 -8.847 2.140 1.200 0.00 0.00 +0.233 C BRANCH 14 16 ATOM 15 C LIG 1 -11.190 2.414 0.317 0.00 0.00 +0.007 C ATOM 16 C LIG 1 -9.825 1.790 0.084 0.00 0.00 +0.038 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 O LIG 1 -0.594 0.692 -0.440 0.00 0.00 -0.491 OA BRANCH 17 18 ATOM 18 C LIG 1 0.772 0.272 -0.435 0.00 0.00 +0.235 C BRANCH 18 19 ATOM 19 C LIG 1 1.391 0.447 0.950 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 2.774 -0.084 1.016 0.00 0.00 +0.086 A ATOM 21 C LIG 1 3.266 -1.181 1.690 0.00 0.00 +0.126 A ATOM 22 C LIG 1 2.686 -2.219 2.559 0.00 0.00 +0.088 C ATOM 23 O LIG 1 4.606 -1.262 1.438 0.00 0.00 -0.440 OA ATOM 24 C LIG 1 4.865 -0.194 0.617 0.00 0.00 +0.228 A ATOM 25 N LIG 1 3.800 0.533 0.336 0.00 0.00 -0.214 NA BRANCH 24 26 ATOM 26 C LIG 1 6.247 -0.015 0.179 0.00 0.00 +0.037 A ATOM 27 C LIG 1 6.571 1.048 -0.674 0.00 0.00 +0.014 A ATOM 28 C LIG 1 7.888 1.246 -1.108 0.00 0.00 +0.009 A ATOM 29 C LIG 1 8.922 0.389 -0.702 0.00 0.00 -0.018 A ATOM 30 C LIG 1 8.592 -0.675 0.152 0.00 0.00 +0.009 A ATOM 31 C LIG 1 7.274 -0.876 0.585 0.00 0.00 +0.014 A BRANCH 29 32 ATOM 32 C LIG 1 10.308 0.601 -1.155 0.00 0.00 -0.018 A ATOM 33 C LIG 1 11.369 0.662 -0.236 0.00 0.00 +0.008 A ATOM 34 C LIG 1 12.684 0.868 -0.664 0.00 0.00 +0.001 A ATOM 35 C LIG 1 12.961 1.014 -2.021 0.00 0.00 +0.000 A ATOM 36 C LIG 1 11.925 0.955 -2.949 0.00 0.00 +0.001 A ATOM 37 C LIG 1 10.610 0.751 -2.519 0.00 0.00 +0.008 A ENDBRANCH 29 32 ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 6 17 BRANCH 10 38 ATOM 38 C LIG 1 -4.840 -2.760 1.205 0.00 0.00 +0.046 C BRANCH 38 39 ATOM 39 C LIG 1 -5.088 -3.911 0.232 0.00 0.00 +0.125 C BRANCH 39 40 ATOM 40 C LIG 1 -5.673 -3.453 -1.072 0.00 0.00 +0.305 C ATOM 41 O LIG 1 -5.178 -3.599 -2.177 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 -6.883 -2.880 -0.935 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 -7.146 -2.664 -1.856 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 10 38 TORSDOF 13