REMARK Name = BDB011826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.393 -1.323 1.158 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.060 -1.650 1.486 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.377 -2.824 1.732 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.030 -0.646 1.422 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.899 0.702 1.971 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.298 1.453 2.120 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.253 2.765 2.656 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.938 3.370 3.031 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.111 2.661 2.900 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.595 0.974 1.792 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.604 1.727 1.168 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -3.798 1.434 1.240 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.081 1.358 2.391 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.919 -0.378 2.205 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -2.244 2.886 0.305 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -3.043 4.032 0.354 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -2.740 5.131 -0.456 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -1.678 5.078 -1.363 0.00 0.00 +0.025 A ATOM 19 C LIG 1 -0.866 3.941 -1.384 0.00 0.00 +0.023 A ATOM 20 C LIG 1 -1.162 2.836 -0.580 0.00 0.00 +0.015 A BRANCH 18 21 ATOM 21 N LIG 1 -1.307 6.222 -2.080 0.00 0.00 -0.358 N ATOM 22 H LIG 1 -2.079 6.853 -2.270 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 -0.761 6.022 -2.912 0.00 0.00 +0.142 HD ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -2.247 -3.263 -0.090 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -2.153 -2.577 1.109 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -2.102 -3.156 1.938 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -1.869 -2.791 -1.163 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -2.817 -4.695 0.040 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -1.635 -5.655 0.177 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -4.215 -6.301 -1.181 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -3.685 -4.952 -1.123 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -3.162 -4.732 -1.974 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 2.364 -1.166 1.025 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 3.103 -0.365 -0.054 0.00 0.00 -0.019 A ATOM 35 C LIG 1 2.447 0.030 -1.268 0.00 0.00 -0.013 A ATOM 36 C LIG 1 3.112 0.916 -2.152 0.00 0.00 -0.018 A ATOM 37 C LIG 1 2.477 1.371 -3.322 0.00 0.00 +0.008 A ATOM 38 C LIG 1 1.201 0.933 -3.665 0.00 0.00 +0.001 A ATOM 39 C LIG 1 0.554 0.019 -2.850 0.00 0.00 +0.001 A ATOM 40 C LIG 1 4.418 1.327 -1.875 0.00 0.00 +0.009 A ATOM 41 C LIG 1 5.099 0.837 -0.766 0.00 0.00 +0.004 A ATOM 42 C LIG 1 1.171 -0.427 -1.678 0.00 0.00 +0.009 A ATOM 43 C LIG 1 4.471 -0.033 0.134 0.00 0.00 -0.045 A ATOM 44 C LIG 1 5.297 -0.571 1.275 0.00 0.00 +0.044 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 7