REMARK Name = BDB043340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.194 -1.896 0.882 0.00 0.00 +0.205 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.109 -0.644 0.871 0.00 0.00 +0.242 C ATOM 3 N LIG 1 -1.956 -0.569 -0.220 0.00 0.00 -0.308 N ATOM 4 H LIG 1 -1.955 -1.322 -0.897 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -1.073 0.227 1.736 0.00 0.00 -0.273 OA BRANCH 3 6 ATOM 6 C LIG 1 -2.825 0.595 -0.462 0.00 0.00 +0.104 C BRANCH 6 7 ATOM 7 C LIG 1 -4.026 0.643 0.528 0.00 0.00 +0.163 C BRANCH 7 8 ATOM 8 O LIG 1 -5.033 1.568 0.115 0.00 0.00 -0.387 OA ATOM 9 H LIG 1 -5.819 1.363 0.662 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 -4.687 -0.705 0.914 0.00 0.00 +0.145 C BRANCH 10 11 ATOM 11 O LIG 1 -5.728 -0.429 1.862 0.00 0.00 -0.389 OA ATOM 12 H LIG 1 -5.298 -0.108 2.676 0.00 0.00 +0.210 HD ENDBRANCH 10 11 BRANCH 10 13 ATOM 13 C LIG 1 -5.255 -1.579 -0.217 0.00 0.00 +0.037 C BRANCH 13 14 ATOM 14 C LIG 1 -6.412 -1.024 -1.075 0.00 0.00 -0.015 C ATOM 15 C LIG 1 -6.625 -1.945 -2.283 0.00 0.00 +0.007 C ATOM 16 C LIG 1 -7.731 -0.887 -0.314 0.00 0.00 +0.007 C ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 7 10 ENDBRANCH 6 7 BRANCH 6 17 ATOM 17 C LIG 1 -3.145 0.683 -1.973 0.00 0.00 +0.028 C BRANCH 17 18 ATOM 18 C LIG 1 -3.518 2.043 -2.622 0.00 0.00 -0.009 C ATOM 19 C LIG 1 -3.071 3.307 -1.867 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -3.774 4.585 -2.340 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -4.266 4.485 -3.775 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -5.258 3.336 -3.954 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -4.995 2.140 -3.030 0.00 0.00 +0.003 C ENDBRANCH 17 18 ENDBRANCH 6 17 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 O LIG 1 0.938 -1.823 1.742 0.00 0.00 -0.355 OA BRANCH 24 25 ATOM 25 C LIG 1 1.925 -0.862 1.337 0.00 0.00 +0.209 C BRANCH 25 26 ATOM 26 C LIG 1 2.681 -1.199 0.021 0.00 0.00 +0.245 C ATOM 27 N LIG 1 3.501 -0.227 -0.555 0.00 0.00 -0.299 N ATOM 28 C LIG 1 4.238 -0.620 -1.757 0.00 0.00 +0.110 C ATOM 29 C LIG 1 5.199 0.455 -2.252 0.00 0.00 +0.050 C ATOM 30 C LIG 1 5.872 1.151 -1.073 0.00 0.00 +0.121 C ATOM 31 C LIG 1 4.830 1.818 -0.162 0.00 0.00 +0.050 C ATOM 32 C LIG 1 3.436 1.208 -0.290 0.00 0.00 +0.110 C ATOM 33 O LIG 1 2.554 -2.303 -0.517 0.00 0.00 -0.273 OA BRANCH 30 34 ATOM 34 O LIG 1 6.784 2.118 -1.601 0.00 0.00 -0.376 OA BRANCH 34 35 ATOM 35 C LIG 1 7.729 2.594 -0.643 0.00 0.00 +0.160 C BRANCH 35 36 ATOM 36 C LIG 1 8.652 3.603 -1.318 0.00 0.00 +0.025 C ATOM 37 C LIG 1 7.905 4.844 -1.790 0.00 0.00 +0.006 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 25 26 BRANCH 25 38 ATOM 38 C LIG 1 2.908 -0.665 2.510 0.00 0.00 +0.076 C BRANCH 38 39 ATOM 39 C LIG 1 3.807 -1.843 2.816 0.00 0.00 -0.044 A ATOM 40 C LIG 1 5.067 -1.961 2.212 0.00 0.00 +0.004 A ATOM 41 C LIG 1 5.888 -3.055 2.491 0.00 0.00 +0.000 A ATOM 42 C LIG 1 5.460 -4.042 3.377 0.00 0.00 +0.000 A ATOM 43 C LIG 1 4.212 -3.933 3.987 0.00 0.00 +0.000 A ATOM 44 C LIG 1 3.392 -2.839 3.709 0.00 0.00 +0.004 A ENDBRANCH 38 39 ENDBRANCH 25 38 ENDBRANCH 24 25 ENDBRANCH 1 24 BRANCH 1 45 ATOM 45 C LIG 1 -1.016 -3.152 1.225 0.00 0.00 +0.041 C BRANCH 45 46 ATOM 46 C LIG 1 -1.673 -3.178 2.613 0.00 0.00 +0.003 C BRANCH 46 48 ATOM 47 C LIG 1 0.071 -4.622 3.792 0.00 0.00 +0.004 C ATOM 48 C LIG 1 -0.742 -3.336 3.816 0.00 0.00 -0.003 C ENDBRANCH 46 48 ENDBRANCH 45 46 ENDBRANCH 1 45 TORSDOF 21