REMARK Name = BDB006380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.589 -3.604 0.060 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.001 -2.331 0.562 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.560 -1.022 0.425 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.680 -0.119 1.026 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.934 1.264 1.042 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -2.109 1.730 0.447 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -3.016 0.848 -0.141 0.00 0.00 +0.037 A ATOM 8 N LIG 1 0.384 -0.857 1.520 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.742 -0.528 -0.170 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.193 -2.201 1.257 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.167 -3.254 1.664 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -4.253 1.408 -0.752 0.00 0.00 +0.244 C ATOM 13 N LIG 1 -5.358 0.578 -0.756 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -5.343 -0.229 -0.147 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -4.265 2.556 -1.181 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.648 1.068 -1.191 0.00 0.00 +0.073 C ATOM 17 C LIG 1 -7.632 -0.059 -1.481 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -8.972 0.657 -1.472 0.00 0.00 +0.002 C ATOM 19 C LIG 1 -8.856 1.671 -0.339 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -7.359 1.906 -0.126 0.00 0.00 +0.022 C ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 21 ATOM 21 C LIG 1 1.514 -0.290 2.259 0.00 0.00 +0.157 C BRANCH 21 22 ATOM 22 C LIG 1 2.783 -0.224 1.442 0.00 0.00 -0.028 A ATOM 23 C LIG 1 2.813 0.393 0.184 0.00 0.00 +0.006 A ATOM 24 C LIG 1 4.006 0.478 -0.540 0.00 0.00 +0.009 A ATOM 25 C LIG 1 5.200 -0.042 -0.021 0.00 0.00 -0.017 A ATOM 26 C LIG 1 5.170 -0.653 1.240 0.00 0.00 +0.009 A ATOM 27 C LIG 1 3.978 -0.737 1.966 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 6.449 0.037 -0.789 0.00 0.00 -0.004 A ATOM 29 C LIG 1 7.246 1.198 -0.860 0.00 0.00 +0.067 A ATOM 30 C LIG 1 8.408 1.211 -1.654 0.00 0.00 +0.015 A ATOM 31 C LIG 1 8.787 0.079 -2.375 0.00 0.00 +0.001 A ATOM 32 C LIG 1 8.012 -1.074 -2.308 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.855 -1.093 -1.525 0.00 0.00 +0.009 A BRANCH 29 34 ATOM 34 C LIG 1 6.909 2.415 -0.080 0.00 0.00 +0.337 C ATOM 35 O LIG 1 6.417 2.476 1.029 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 7.217 3.535 -0.763 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 6.929 4.254 -0.162 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7