REMARK Name = BDB043135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.308 -1.042 -0.013 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.679 -1.437 0.379 0.00 0.00 -0.339 N ATOM 3 H LIG 1 -3.671 -2.387 0.778 0.00 0.00 +0.146 HD BRANCH 2 4 ATOM 4 C LIG 1 -4.830 -1.294 -0.406 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -5.974 -2.085 -0.134 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -7.159 -1.947 -0.878 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -7.248 -0.975 -1.868 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -6.161 -0.145 -2.109 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -4.974 -0.298 -1.380 0.00 0.00 +0.023 A BRANCH 5 10 ATOM 10 C LIG 1 -5.920 -3.132 0.924 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -4.923 -3.847 1.010 0.00 0.00 -0.287 OA BRANCH 10 12 ATOM 12 C LIG 1 -7.040 -3.318 1.883 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -7.268 -4.598 2.403 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -8.307 -4.809 3.310 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -9.112 -3.742 3.709 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.876 -2.462 3.209 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -7.837 -2.245 2.301 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 5 10 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -2.078 0.481 0.136 0.00 0.00 +0.126 C BRANCH 18 19 ATOM 19 N LIG 1 -0.716 0.810 0.536 0.00 0.00 -0.314 N ATOM 20 H LIG 1 -0.384 0.460 1.426 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 0.069 1.704 -0.158 0.00 0.00 +0.214 C ATOM 22 O LIG 1 -0.298 2.289 -1.172 0.00 0.00 -0.276 OA BRANCH 21 23 ATOM 23 C LIG 1 1.451 1.859 0.446 0.00 0.00 +0.107 C BRANCH 23 24 ATOM 24 C LIG 1 2.286 2.891 -0.300 0.00 0.00 +0.129 C BRANCH 24 25 ATOM 25 C LIG 1 1.791 4.285 -0.039 0.00 0.00 +0.305 C ATOM 26 O LIG 1 1.077 4.656 0.878 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 2.276 5.173 -0.930 0.00 0.00 -0.481 OA ATOM 28 H LIG 1 1.861 6.019 -0.662 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 1 29 ATOM 29 C LIG 1 -1.898 -1.633 -1.380 0.00 0.00 +0.059 C BRANCH 29 33 ATOM 30 C LIG 1 2.379 -1.553 -2.009 0.00 0.00 +0.121 A ATOM 31 C LIG 1 1.543 -0.698 -2.726 0.00 0.00 +0.046 A ATOM 32 C LIG 1 0.161 -0.733 -2.536 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -0.407 -1.633 -1.627 0.00 0.00 -0.045 A ATOM 34 C LIG 1 0.434 -2.517 -0.938 0.00 0.00 +0.007 A ATOM 35 C LIG 1 1.819 -2.479 -1.129 0.00 0.00 +0.046 A BRANCH 30 36 ATOM 36 O LIG 1 3.713 -1.403 -2.262 0.00 0.00 -0.492 OA BRANCH 36 37 ATOM 37 C LIG 1 4.608 -1.897 -1.259 0.00 0.00 +0.235 C BRANCH 37 38 ATOM 38 C LIG 1 5.986 -1.276 -1.488 0.00 0.00 +0.100 C BRANCH 38 41 ATOM 39 C LIG 1 5.265 1.540 -3.198 0.00 0.00 +0.088 C ATOM 40 C LIG 1 5.719 1.284 -1.821 0.00 0.00 +0.126 A ATOM 41 C LIG 1 6.021 0.157 -1.087 0.00 0.00 +0.086 A ATOM 42 N LIG 1 6.371 0.523 0.194 0.00 0.00 -0.214 NA ATOM 43 C LIG 1 6.269 1.840 0.195 0.00 0.00 +0.228 A ATOM 44 O LIG 1 5.876 2.368 -1.007 0.00 0.00 -0.440 OA BRANCH 43 45 ATOM 45 C LIG 1 6.488 2.783 1.288 0.00 0.00 +0.037 A ATOM 46 C LIG 1 6.911 2.308 2.539 0.00 0.00 +0.013 A ATOM 47 C LIG 1 7.115 3.186 3.607 0.00 0.00 +0.001 A ATOM 48 C LIG 1 6.898 4.551 3.437 0.00 0.00 +0.000 A ATOM 49 C LIG 1 6.479 5.040 2.202 0.00 0.00 +0.001 A ATOM 50 C LIG 1 6.275 4.162 1.134 0.00 0.00 +0.013 A ENDBRANCH 43 45 ENDBRANCH 38 41 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 30 36 ENDBRANCH 29 33 ENDBRANCH 1 29 TORSDOF 17