REMARK Name = BDB024153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.619 1.171 -1.022 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.929 -0.260 -0.591 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.524 -1.322 -1.421 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.799 -2.647 -1.078 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.485 -2.933 0.100 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.898 -1.895 0.932 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.625 -0.568 0.589 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.355 2.239 1.100 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.191 2.964 1.784 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.598 2.226 0.123 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.446 3.129 0.184 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.814 -0.032 1.650 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.978 -0.163 0.544 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.854 0.566 0.324 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.501 1.461 1.254 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.264 1.669 2.398 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.423 0.913 2.595 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 6.855 -1.631 1.850 0.00 0.00 +0.152 C ATOM 19 C LIG 1 6.132 -0.492 2.595 0.00 0.00 +0.138 C ATOM 20 N LIG 1 4.963 -0.821 1.826 0.00 0.00 -0.324 N ATOM 21 C LIG 1 5.739 -1.458 0.799 0.00 0.00 +0.138 C BRANCH 18 23 ATOM 22 C LIG 1 8.831 -2.374 0.654 0.00 0.00 +0.194 C ATOM 23 O LIG 1 8.213 -1.357 1.430 0.00 0.00 -0.377 OA ENDBRANCH 18 23 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.464 1.663 -2.158 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -1.450 2.685 -2.113 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.860 1.219 -2.213 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.801 1.798 -1.147 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -5.219 1.301 -1.323 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -6.195 2.121 -1.903 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -7.500 1.654 -2.073 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.842 0.360 -1.667 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.871 -0.464 -1.090 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.566 0.004 -0.920 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -9.182 -0.119 -1.841 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -10.267 -0.507 -1.981 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10