REMARK Name = BDB017427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.586 0.061 0.358 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.533 -0.767 -0.779 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.281 -1.119 -1.299 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.080 -0.696 -0.746 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.936 -1.269 -1.578 0.00 0.00 +0.102 A ATOM 6 N LIG 1 0.392 -2.025 -2.547 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.126 0.108 0.408 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.930 -1.887 -2.372 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.551 -2.355 -3.022 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.374 0.471 0.938 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -8.572 0.203 0.987 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -7.218 0.420 1.267 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.400 0.928 0.265 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.937 1.273 0.216 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.915 0.443 0.968 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -4.735 1.817 -1.181 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.955 1.722 -1.830 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.090 2.043 -2.777 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -3.701 2.278 -1.633 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.200 1.874 1.378 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.949 1.213 -0.994 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -8.276 1.014 -1.302 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -9.089 0.500 -0.291 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -9.046 -0.605 3.176 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -9.500 -0.292 1.865 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 2.384 -1.135 -1.466 0.00 0.00 +0.021 A ATOM 27 C LIG 1 2.986 0.063 -1.111 0.00 0.00 +0.123 A ATOM 28 N LIG 1 4.326 0.243 -0.974 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 5.142 -0.806 -1.210 0.00 0.00 +0.121 A ATOM 30 C LIG 1 4.615 -2.039 -1.604 0.00 0.00 +0.044 A ATOM 31 C LIG 1 3.235 -2.204 -1.732 0.00 0.00 +0.015 A BRANCH 29 32 ATOM 32 N LIG 1 6.536 -0.660 -1.079 0.00 0.00 -0.313 N ATOM 33 C LIG 1 7.101 -1.603 -0.081 0.00 0.00 +0.122 C ATOM 34 C LIG 1 8.421 -1.067 0.518 0.00 0.00 +0.103 C ATOM 35 N LIG 1 8.260 0.220 1.234 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 9.547 0.895 1.368 0.00 0.00 +0.105 C ATOM 37 C LIG 1 7.253 1.082 0.566 0.00 0.00 +0.103 C ATOM 38 C LIG 1 6.998 0.736 -0.918 0.00 0.00 +0.122 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4