REMARK Name = BDB011674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.128 -0.026 0.032 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.068 -0.319 -0.841 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.087 -1.101 -1.793 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.300 0.269 -0.552 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.603 1.266 0.486 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.683 2.043 1.258 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.208 2.944 2.227 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.567 3.091 2.482 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.460 2.349 1.751 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.752 2.111 1.088 0.00 0.00 -0.263 N ATOM 11 C LIG 1 1.597 2.427 2.177 0.00 0.00 +0.251 C ATOM 12 O LIG 1 1.304 2.297 3.364 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.984 1.468 0.777 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.343 1.471 -0.071 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 2.929 3.007 1.880 0.00 0.00 +0.040 A ATOM 16 C LIG 1 4.050 2.507 2.535 0.00 0.00 +0.033 A ATOM 17 C LIG 1 5.270 3.086 2.246 0.00 0.00 +0.111 A ATOM 18 N LIG 1 5.426 4.121 1.388 0.00 0.00 -0.263 NA ATOM 19 C LIG 1 4.314 4.600 0.792 0.00 0.00 +0.111 A ATOM 20 C LIG 1 3.048 4.084 1.001 0.00 0.00 +0.033 A ENDBRANCH 11 15 BRANCH 1 22 ATOM 21 C LIG 1 3.415 -0.973 0.243 0.00 0.00 +0.230 C ATOM 22 N LIG 1 2.263 -0.795 -0.484 0.00 0.00 -0.301 N ATOM 23 H LIG 1 2.090 -1.349 -1.320 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 3.585 -0.443 1.340 0.00 0.00 -0.274 OA BRANCH 21 25 ATOM 25 C LIG 1 4.447 -1.920 -0.408 0.00 0.00 +0.137 C ATOM 26 C LIG 1 4.160 -3.337 0.087 0.00 0.00 +0.034 C BRANCH 25 28 ATOM 27 C LIG 1 6.873 -2.261 -0.576 0.00 0.00 +0.101 C ATOM 28 N LIG 1 5.795 -1.416 -0.097 0.00 0.00 -0.309 NA ATOM 29 H LIG 1 5.868 -1.281 0.914 0.00 0.00 +0.122 HD ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 22 BRANCH 4 30 ATOM 30 C LIG 1 -2.373 -0.118 -1.494 0.00 0.00 +0.149 C BRANCH 30 31 ATOM 31 C LIG 1 -3.433 -1.153 -1.086 0.00 0.00 -0.019 A ATOM 32 C LIG 1 -4.672 -1.142 -1.837 0.00 0.00 -0.013 A ATOM 33 C LIG 1 -5.719 -2.025 -1.467 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -6.944 -2.026 -2.156 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -7.165 -1.170 -3.231 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.157 -0.309 -3.632 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -5.538 -2.915 -0.411 0.00 0.00 +0.009 A ATOM 38 C LIG 1 -4.329 -2.968 0.271 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -4.936 -0.299 -2.950 0.00 0.00 +0.009 A ATOM 40 C LIG 1 -3.262 -2.116 -0.056 0.00 0.00 -0.045 A ATOM 41 C LIG 1 -1.998 -2.317 0.734 0.00 0.00 +0.044 C ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 6