REMARK Name = BDB024375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.418 -1.096 -0.795 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.879 -2.447 -0.339 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.312 -2.637 0.932 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.175 -3.889 1.315 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.090 -4.969 0.440 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.489 -4.803 -0.816 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.975 -3.552 -1.202 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.744 0.028 -0.517 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.073 -0.828 -0.941 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.619 0.141 -0.276 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.188 1.106 0.230 0.00 0.00 -0.273 OA BRANCH 8 14 ATOM 12 C LIG 1 4.050 1.580 -0.153 0.00 0.00 -0.010 A ATOM 13 C LIG 1 3.041 0.665 -0.472 0.00 0.00 +0.052 A ATOM 14 C LIG 1 1.717 0.975 -0.174 0.00 0.00 +0.125 A ATOM 15 N LIG 1 1.374 2.129 0.418 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 2.353 3.005 0.718 0.00 0.00 +0.113 A ATOM 17 C LIG 1 3.691 2.782 0.454 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 C LIG 1 8.354 -0.784 -0.903 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.338 0.232 -0.773 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.669 1.523 -0.949 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.518 2.171 -0.749 0.00 0.00 +0.142 A ATOM 22 C LIG 1 5.444 1.300 -0.451 0.00 0.00 +0.020 A ATOM 23 C LIG 1 6.019 0.045 -0.473 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 14 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.881 -0.941 -0.595 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -3.103 0.025 -0.859 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.318 -1.120 0.796 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.801 -0.742 0.982 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -5.172 0.692 0.662 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -6.331 0.959 -0.082 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.704 2.273 -0.377 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.924 3.341 0.075 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -4.776 3.087 0.827 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.407 1.772 1.125 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -6.303 4.689 -0.230 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -6.618 5.779 -0.478 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9