REMARK Name = BDB038745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.569 -0.846 -0.599 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -3.298 -0.259 -0.640 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -2.237 -0.848 0.039 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.418 -1.979 0.744 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.627 -2.592 0.790 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.709 -2.042 0.111 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.952 -0.265 0.014 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.160 -0.763 0.694 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.303 -1.719 1.434 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.282 0.131 0.373 0.00 0.00 +0.042 A ATOM 11 C LIG 1 0.821 1.129 -0.478 0.00 0.00 -0.018 A ATOM 12 C LIG 1 1.681 2.109 -0.937 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.015 2.063 -0.517 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.483 1.048 0.353 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.595 0.061 0.803 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.629 0.924 -0.751 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 4.936 1.028 0.781 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.796 0.745 -0.364 0.00 0.00 -0.307 NA ATOM 19 H LIG 1 5.462 -0.111 -0.810 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 7.242 0.616 -0.089 0.00 0.00 +0.017 C ATOM 21 C LIG 1 7.528 -0.691 0.678 0.00 0.00 +0.027 C ATOM 22 C LIG 1 7.785 1.808 0.717 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 C LIG 1 7.942 0.506 -1.475 0.00 0.00 +0.009 C ATOM 24 C LIG 1 7.912 1.727 -2.440 0.00 0.00 +0.005 C ATOM 25 C LIG 1 9.391 1.986 -2.113 0.00 0.00 +0.001 C ATOM 26 C LIG 1 9.492 0.541 -1.597 0.00 0.00 +0.005 C ENDBRANCH 20 23 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -6.927 0.117 -0.601 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.721 -0.210 -1.271 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -5.632 0.073 -2.650 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -6.695 0.654 -3.348 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.882 0.961 -2.683 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.997 0.687 -1.319 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -5.448 1.406 1.878 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -6.479 0.405 1.884 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -7.150 -0.148 0.821 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -8.067 -0.969 1.300 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -7.967 -0.988 2.671 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -7.008 -0.160 3.006 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -8.975 1.554 -3.396 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -9.848 2.047 -3.979 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -3.715 -3.859 1.617 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -4.605 -5.014 1.225 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -4.942 -4.187 2.434 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 9