REMARK Name = BDB024379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.307 -1.513 -0.315 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.672 -2.987 -0.401 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.059 -3.542 -1.632 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.405 -4.891 -1.728 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.371 -5.702 -0.596 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.993 -5.166 0.633 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.648 -3.817 0.732 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.111 -1.300 -0.661 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.133 -1.404 -1.636 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.881 -1.337 0.296 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.704 -1.259 1.513 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.261 -0.855 -0.384 0.00 0.00 +0.049 A ATOM 13 C LIG 1 3.520 -1.026 -1.558 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.171 -1.163 -1.640 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.484 -1.155 -0.483 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.109 -1.015 0.744 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.502 -0.869 0.787 0.00 0.00 +0.028 A BRANCH 12 25 ATOM 18 C LIG 1 6.584 2.881 -1.299 0.00 0.00 +0.029 C ATOM 19 C LIG 1 6.007 1.743 -0.451 0.00 0.00 +0.090 C ATOM 20 N LIG 1 6.603 1.671 0.905 0.00 0.00 -0.299 N ATOM 21 C LIG 1 6.677 2.901 1.683 0.00 0.00 +0.132 C ATOM 22 C LIG 1 6.545 0.471 1.634 0.00 0.00 +0.233 C ATOM 23 O LIG 1 6.674 0.432 2.860 0.00 0.00 -0.274 OA ATOM 24 C LIG 1 6.426 -0.838 0.834 0.00 0.00 +0.201 C ATOM 25 N LIG 1 5.652 -0.707 -0.418 0.00 0.00 -0.318 N ATOM 26 C LIG 1 6.149 0.415 -1.235 0.00 0.00 +0.128 C ENDBRANCH 12 25 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 -3.255 -0.710 0.486 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.217 -1.042 1.451 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.626 -0.730 -0.025 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 -5.577 0.280 0.671 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -5.616 0.111 2.195 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 -5.311 1.723 0.262 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -4.152 2.404 0.664 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -3.925 3.726 0.272 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.856 4.389 -0.530 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -6.015 3.723 -0.938 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -6.239 2.400 -0.545 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -4.623 5.744 -0.936 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -4.436 6.840 -1.268 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9