REMARK Name = BDB027105 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.662 -1.009 -0.673 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.463 -2.009 0.461 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.043 -3.303 0.257 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.201 -4.183 1.331 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.159 -3.792 2.618 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.688 -2.523 2.835 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.846 -1.641 1.764 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.254 -1.274 -1.892 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.169 -1.944 -2.844 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.519 1.274 0.429 0.00 0.00 +0.039 A ATOM 11 C LIG 1 4.704 0.918 -0.913 0.00 0.00 +0.039 A ATOM 12 C LIG 1 3.654 0.254 -1.569 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.438 -0.067 -0.952 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.620 -0.726 -1.938 0.00 0.00 +0.044 A ATOM 15 C LIG 1 2.388 -0.795 -3.091 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.296 0.283 0.410 0.00 0.00 +0.011 A ATOM 17 N LIG 1 3.597 -0.211 -2.860 0.00 0.00 -0.360 N ATOM 18 H LIG 1 4.346 -0.135 -3.535 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.333 0.944 1.085 0.00 0.00 +0.014 A BRANCH 10 23 ATOM 20 C LIG 1 7.401 3.614 1.152 0.00 0.00 +0.128 C ATOM 21 N LIG 1 6.424 2.796 0.477 0.00 0.00 -0.314 N ATOM 22 H LIG 1 6.141 3.074 -0.452 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 5.582 1.976 1.203 0.00 0.00 +0.244 C ATOM 24 O LIG 1 5.653 1.840 2.419 0.00 0.00 -0.270 OA ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.093 -1.046 -1.077 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.222 -1.893 -1.637 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.485 0.123 -1.872 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.991 0.111 -2.188 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.857 0.487 -1.007 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.347 1.794 -0.872 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.138 2.144 0.225 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.445 1.192 1.202 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.957 -0.111 1.077 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.168 -0.460 -0.022 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.253 1.554 2.329 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.908 1.850 3.241 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9