REMARK Name = BDB025067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.093 1.884 -2.873 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.114 2.283 -1.947 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.791 3.722 -1.780 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.934 4.473 -1.074 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.499 4.014 -0.999 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.427 3.005 -1.338 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.952 1.650 -0.961 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.139 0.684 -0.335 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.172 0.778 0.044 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.502 -0.386 0.571 0.00 0.00 +0.117 A ATOM 11 N LIG 1 -0.593 -1.234 0.583 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -1.645 -0.571 -0.028 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.960 -0.930 -0.332 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.760 0.032 -0.966 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.284 1.310 -1.288 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.394 0.729 -3.161 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.685 -2.586 1.130 0.00 0.00 +0.090 C ATOM 18 C LIG 1 0.098 -3.619 0.298 0.00 0.00 +0.039 C ATOM 19 C LIG 1 0.516 -4.855 1.107 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -0.518 -5.189 2.186 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.685 -4.055 3.201 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.384 -2.665 2.634 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 0.786 -5.997 0.152 0.00 0.00 +0.308 C ATOM 24 O LIG 1 1.748 -6.073 -0.597 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.171 -6.939 0.119 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 0.139 -7.575 -0.561 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -6.658 2.600 -4.479 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -5.683 2.949 -3.496 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 1.870 -0.716 1.095 0.00 0.00 +0.130 C BRANCH 29 30 ATOM 30 C LIG 1 3.012 -0.298 0.191 0.00 0.00 +0.052 A ATOM 31 N LIG 1 4.060 0.329 0.787 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 5.116 0.655 0.013 0.00 0.00 +0.215 A ATOM 33 C LIG 1 5.203 0.354 -1.335 0.00 0.00 +0.067 A ATOM 34 C LIG 1 4.134 -0.301 -1.933 0.00 0.00 +0.007 A ATOM 35 C LIG 1 3.026 -0.638 -1.162 0.00 0.00 +0.024 A BRANCH 32 36 ATOM 36 O LIG 1 6.206 1.300 0.563 0.00 0.00 -0.474 OA BRANCH 36 37 ATOM 37 C LIG 1 5.994 1.839 1.873 0.00 0.00 +0.169 C ATOM 38 C LIG 1 5.326 3.210 1.771 0.00 0.00 +0.051 C ATOM 39 C LIG 1 7.370 1.975 2.518 0.00 0.00 +0.051 C ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8