REMARK Name = BDB010396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.285 -1.161 0.822 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.089 -0.960 0.925 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.783 -1.492 2.001 0.00 0.00 +0.185 A ATOM 4 N LIG 1 2.119 -1.243 1.917 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.279 -0.551 0.815 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.217 -2.189 2.997 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.105 -2.289 2.854 0.00 0.00 +0.203 A ATOM 8 N LIG 1 1.057 -0.275 0.221 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -1.872 -1.819 1.843 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -1.845 -3.012 3.912 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.180 -3.122 3.813 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.765 -2.755 3.080 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.596 -3.812 4.882 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.752 -4.109 5.137 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -2.501 -4.130 5.646 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -1.362 -3.582 4.968 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 3.460 -0.122 0.303 0.00 0.00 -0.291 N ATOM 18 C LIG 1 3.978 -0.680 -0.973 0.00 0.00 +0.146 C ATOM 19 C LIG 1 5.489 -0.858 -0.745 0.00 0.00 +0.032 C ATOM 20 C LIG 1 5.798 0.162 0.338 0.00 0.00 +0.021 C ATOM 21 C LIG 1 4.576 0.061 1.241 0.00 0.00 +0.109 C BRANCH 18 22 ATOM 22 C LIG 1 3.338 -1.888 -1.579 0.00 0.00 +0.171 A ATOM 23 N LIG 1 3.177 -3.122 -1.005 0.00 0.00 -0.231 N ATOM 24 C LIG 1 3.566 -3.639 0.278 0.00 0.00 +0.176 C ATOM 25 N LIG 1 2.514 -3.929 -1.854 0.00 0.00 -0.044 NA ATOM 26 N LIG 1 2.275 -3.194 -2.927 0.00 0.00 -0.023 NA ATOM 27 N LIG 1 2.773 -1.929 -2.773 0.00 0.00 -0.111 NA ENDBRANCH 18 22 ENDBRANCH 5 17 BRANCH 1 28 ATOM 28 N LIG 1 -2.037 -0.726 -0.260 0.00 0.00 -0.324 N ATOM 29 H LIG 1 -1.543 -0.856 -1.137 0.00 0.00 +0.148 HD BRANCH 28 31 ATOM 30 C LIG 1 -3.577 -2.531 -0.885 0.00 0.00 +0.028 C ATOM 31 C LIG 1 -3.451 -1.105 -0.348 0.00 0.00 +0.072 C BRANCH 31 32 ATOM 32 C LIG 1 -4.169 -0.063 -1.228 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -3.887 0.003 -2.753 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -5.242 -0.683 -2.999 0.00 0.00 +0.001 C ATOM 35 C LIG 1 -5.665 -0.272 -1.578 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 1 28 BRANCH 8 36 ATOM 36 C LIG 1 0.850 0.688 -0.847 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 0.928 2.157 -0.388 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -0.240 2.535 0.537 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -0.206 4.013 0.925 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.177 4.924 -0.307 0.00 0.00 -0.014 C ATOM 41 C LIG 1 -0.094 6.391 0.110 0.00 0.00 +0.007 C ATOM 42 C LIG 1 0.993 4.555 -1.225 0.00 0.00 +0.003 C ATOM 43 C LIG 1 0.956 3.079 -1.617 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 8