REMARK Name = BDB009151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.042 -1.604 0.313 0.00 0.00 +0.065 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.407 -1.526 -0.151 0.00 0.00 +0.066 A ATOM 3 C LIG 1 -2.196 -0.277 0.090 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -1.616 0.870 0.872 0.00 0.00 +0.037 C ATOM 5 C LIG 1 -2.653 1.929 1.262 0.00 0.00 +0.005 C ATOM 6 C LIG 1 -3.605 2.223 0.110 0.00 0.00 +0.005 C ATOM 7 C LIG 1 -4.342 0.955 -0.325 0.00 0.00 +0.041 C ATOM 8 C LIG 1 -3.437 -0.242 -0.426 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -3.981 -1.424 -1.140 0.00 0.00 +0.268 A ATOM 10 O LIG 1 -5.114 -1.431 -1.610 0.00 0.00 -0.266 OA ATOM 11 N LIG 1 -3.146 -2.504 -1.232 0.00 0.00 -0.243 N ATOM 12 H LIG 1 -3.497 -3.322 -1.718 0.00 0.00 +0.192 HD ATOM 13 N LIG 1 -1.870 -2.569 -0.770 0.00 0.00 -0.176 NA ENDBRANCH 1 2 BRANCH 1 15 ATOM 14 C LIG 1 1.209 -1.886 -1.936 0.00 0.00 +0.013 C ATOM 15 C LIG 1 0.999 -0.979 -0.718 0.00 0.00 +0.022 C BRANCH 15 16 ATOM 16 C LIG 1 2.330 -0.631 -0.067 0.00 0.00 -0.043 A ATOM 17 C LIG 1 2.747 0.709 -0.005 0.00 0.00 +0.019 A ATOM 18 C LIG 1 3.965 1.053 0.598 0.00 0.00 +0.059 A ATOM 19 C LIG 1 4.775 0.052 1.144 0.00 0.00 +0.015 A ATOM 20 C LIG 1 4.370 -1.281 1.089 0.00 0.00 +0.001 A ATOM 21 C LIG 1 3.156 -1.620 0.488 0.00 0.00 +0.004 A BRANCH 18 22 ATOM 22 C LIG 1 4.433 2.457 0.681 0.00 0.00 +0.337 C ATOM 23 O LIG 1 5.481 2.833 1.172 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 3.562 3.333 0.147 0.00 0.00 -0.477 OA ATOM 25 H LIG 1 4.004 4.200 0.268 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 5