REMARK Name = BDB011787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.941 1.010 -1.365 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.306 1.515 -0.679 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.545 2.726 -0.814 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.101 0.696 0.130 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.896 -0.706 0.529 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.034 -1.647 -0.000 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.023 -3.000 0.427 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.867 -3.436 1.438 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.696 -2.520 2.043 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.989 -1.384 -1.023 0.00 0.00 -0.267 N ATOM 11 C LIG 1 2.296 -1.897 -1.091 0.00 0.00 +0.220 C ATOM 12 O LIG 1 2.973 -1.810 -2.121 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -1.706 -1.197 1.590 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.669 -0.347 -1.977 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 2.928 2.105 -0.225 0.00 0.00 +0.230 C ATOM 16 N LIG 1 2.056 1.072 -0.411 0.00 0.00 -0.301 N ATOM 17 H LIG 1 1.912 0.570 0.457 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 3.435 2.214 0.894 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 3.247 3.068 -1.396 0.00 0.00 +0.137 C ATOM 20 C LIG 1 3.908 2.331 -2.561 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 5.449 3.980 -0.721 0.00 0.00 +0.101 C ATOM 22 N LIG 1 4.027 4.240 -0.917 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 3.635 4.506 -0.010 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 -2.348 1.378 0.581 0.00 0.00 +0.153 C BRANCH 24 25 ATOM 25 C LIG 1 -3.653 0.791 0.040 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -4.790 0.572 0.886 0.00 0.00 -0.010 A ATOM 27 C LIG 1 -5.952 -0.035 0.330 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -7.077 -0.297 1.129 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -7.090 0.058 2.479 0.00 0.00 +0.059 A ATOM 30 C LIG 1 -5.973 0.656 3.049 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -5.988 -0.382 -1.025 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -4.912 -0.102 -1.856 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -4.848 0.917 2.261 0.00 0.00 +0.010 A ATOM 34 C LIG 1 -3.775 0.509 -1.336 0.00 0.00 +0.125 A BRANCH 29 35 ATOM 35 C LIG 1 -8.264 -0.216 3.336 0.00 0.00 +0.337 C ATOM 36 O LIG 1 -8.171 -0.651 4.469 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 -9.432 0.107 2.744 0.00 0.00 -0.477 OA ATOM 38 H LIG 1 -9.344 0.608 1.912 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 29 35 BRANCH 34 39 ATOM 39 O LIG 1 -2.750 0.784 -2.205 0.00 0.00 -0.495 OA ATOM 40 C LIG 1 -3.018 1.992 -2.922 0.00 0.00 +0.277 C ENDBRANCH 34 39 ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 41 ATOM 41 C LIG 1 2.915 -2.495 0.170 0.00 0.00 +0.097 C BRANCH 41 42 ATOM 42 C LIG 1 4.435 -2.299 0.190 0.00 0.00 +0.017 C BRANCH 42 43 ATOM 43 C LIG 1 5.059 -2.921 1.435 0.00 0.00 +0.074 C BRANCH 43 44 ATOM 44 C LIG 1 6.537 -2.608 1.561 0.00 0.00 +0.130 C ATOM 45 O LIG 1 6.993 -2.102 2.587 0.00 0.00 -0.298 OA ATOM 46 C LIG 1 7.437 -2.974 0.410 0.00 0.00 +0.086 C ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 11 41 TORSDOF 12