REMARK Name = BDB024425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.701 -1.391 -0.747 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.516 -2.635 -1.605 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.952 -2.634 -2.940 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.786 -3.763 -3.744 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.192 -4.910 -3.221 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.772 -4.933 -1.893 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.938 -3.806 -1.087 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.629 -0.641 -0.739 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.491 -0.694 -1.738 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.413 -1.063 0.072 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.391 -1.195 1.295 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.428 0.577 0.489 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.409 0.256 1.379 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.166 -0.144 1.014 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.893 -0.239 -0.296 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.843 0.068 -1.265 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.119 0.478 -0.867 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 8.514 1.268 3.229 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.545 1.292 2.161 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.841 1.924 1.012 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.747 1.747 0.268 0.00 0.00 +0.143 A ATOM 22 C LIG 1 5.743 1.002 0.932 0.00 0.00 +0.021 A ATOM 23 C LIG 1 6.304 0.721 2.162 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.864 -1.574 0.158 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.486 -2.038 0.991 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.436 -0.289 0.588 0.00 0.00 +0.088 C BRANCH 26 27 ATOM 27 C LIG 1 -4.415 0.275 -0.447 0.00 0.00 +0.070 C BRANCH 27 28 ATOM 28 C LIG 1 -4.991 1.589 0.015 0.00 0.00 +0.043 A ATOM 29 N LIG 1 -4.320 2.712 -0.340 0.00 0.00 -0.259 NA ATOM 30 C LIG 1 -4.816 3.899 0.088 0.00 0.00 +0.129 A ATOM 31 C LIG 1 -5.959 4.023 0.862 0.00 0.00 +0.070 A ATOM 32 C LIG 1 -6.635 2.858 1.221 0.00 0.00 +0.022 A ATOM 33 C LIG 1 -6.145 1.624 0.795 0.00 0.00 +0.024 A BRANCH 31 34 ATOM 34 C LIG 1 -6.422 5.309 1.273 0.00 0.00 +0.101 C ATOM 35 N LIG 1 -6.800 6.355 1.605 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9