REMARK Name = BDB024293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.858 -0.636 0.221 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.789 -2.111 0.601 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.853 -3.078 -0.419 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.793 -4.440 -0.123 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.684 -4.860 1.200 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.646 -3.918 2.225 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.705 -2.554 1.931 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.251 0.305 1.293 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.042 0.719 1.259 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.235 1.458 1.925 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.962 0.762 2.202 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.177 0.390 0.527 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.180 1.270 0.716 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.351 1.057 0.062 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.597 -0.018 -0.781 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.550 -0.924 -0.941 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.332 -0.724 -0.279 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.866 -0.205 -1.460 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.073 0.341 -1.072 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.003 -0.096 -1.972 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.415 0.203 -1.980 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.490 -0.892 -2.925 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.194 -0.959 -2.613 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.281 -0.283 -0.018 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.742 -0.236 0.893 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.442 0.985 -0.739 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -4.678 0.174 -1.640 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.926 1.364 -1.017 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.719 1.985 0.133 0.00 0.00 -0.041 A ATOM 30 C LIG 1 -6.002 2.503 -0.131 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -6.765 3.088 0.880 0.00 0.00 +0.141 A ATOM 32 F LIG 1 -7.982 3.560 0.573 0.00 0.00 -0.204 F ATOM 33 C LIG 1 -6.277 3.183 2.177 0.00 0.00 +0.087 A ATOM 34 C LIG 1 -5.001 2.690 2.456 0.00 0.00 +0.022 A ATOM 35 C LIG 1 -4.231 2.103 1.443 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -7.067 3.780 3.207 0.00 0.00 +0.102 C ATOM 37 N LIG 1 -7.686 4.259 4.065 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9