REMARK Name = BDB024288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.975 -1.290 0.848 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.731 -2.795 0.893 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.806 -3.531 -0.304 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.590 -4.910 -0.314 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.310 -5.578 0.874 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.257 -4.871 2.073 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.474 -3.490 2.085 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.355 -0.529 2.048 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.882 0.030 2.003 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.066 0.634 2.795 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.012 -0.359 3.087 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.961 -0.006 1.128 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.888 0.929 1.419 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.999 0.995 0.641 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.259 0.151 -0.430 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.296 -0.821 -0.694 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.141 -0.906 0.093 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.460 0.260 -1.236 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.650 0.831 -0.831 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.514 0.713 -1.882 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.885 1.159 -1.937 0.00 0.00 +0.172 C ATOM 22 N LIG 1 6.974 0.103 -2.951 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 5.729 -0.174 -2.556 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.443 -1.055 0.807 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.788 -1.206 1.760 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.780 0.310 0.387 0.00 0.00 +0.090 C BRANCH 26 28 ATOM 27 C LIG 1 -5.033 -0.409 -0.596 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.310 0.542 0.369 0.00 0.00 +0.033 C BRANCH 28 29 ATOM 29 C LIG 1 -4.618 1.998 0.052 0.00 0.00 -0.008 A ATOM 30 C LIG 1 -5.091 2.848 1.059 0.00 0.00 +0.128 A ATOM 31 F LIG 1 -5.282 2.377 2.300 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -5.373 4.190 0.814 0.00 0.00 +0.057 A ATOM 33 C LIG 1 -5.178 4.712 -0.465 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -4.699 3.884 -1.485 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.419 2.537 -1.229 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 C LIG 1 -5.463 6.091 -0.730 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.693 7.207 -0.949 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9