REMARK Name = BDB024359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.278 -0.347 -0.467 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.625 -1.688 -0.771 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.011 -2.427 0.255 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.586 -3.660 -0.012 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.563 -4.181 -1.304 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.067 -3.476 -2.326 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.665 -2.243 -2.061 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.226 1.116 -1.959 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.206 1.681 -2.800 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 1.015 0.734 -1.560 0.00 0.00 +0.240 C ATOM 11 O LIG 1 1.970 1.304 -2.114 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.213 0.617 -0.916 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -3.757 1.121 -2.124 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -2.446 1.282 -2.434 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -1.527 0.899 -1.524 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -1.891 0.414 -0.279 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -3.249 0.262 0.022 0.00 0.00 +0.013 A BRANCH 12 24 ATOM 18 C LIG 1 -5.878 1.751 1.610 0.00 0.00 +0.066 C ATOM 19 C LIG 1 -6.316 0.947 0.439 0.00 0.00 +0.044 A ATOM 20 N LIG 1 -7.619 0.547 0.257 0.00 0.00 -0.271 N ATOM 21 C LIG 1 -8.743 0.788 1.134 0.00 0.00 +0.172 C ATOM 22 N LIG 1 -7.823 -0.122 -0.892 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -6.612 -0.178 -1.446 0.00 0.00 +0.143 A ATOM 24 C LIG 1 -5.627 0.456 -0.659 0.00 0.00 +0.024 A ENDBRANCH 12 24 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 2.747 -0.536 -0.350 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 3.199 0.325 -0.676 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.183 -0.853 1.011 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 4.723 -0.985 1.098 0.00 0.00 +0.030 C ATOM 29 C LIG 1 5.134 -1.543 2.467 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 5.436 0.330 0.802 0.00 0.00 -0.043 A ATOM 31 C LIG 1 5.361 1.427 1.673 0.00 0.00 +0.005 A ATOM 32 C LIG 1 6.011 2.626 1.366 0.00 0.00 +0.019 A ATOM 33 C LIG 1 6.742 2.746 0.181 0.00 0.00 +0.052 A ATOM 34 C LIG 1 6.819 1.663 -0.696 0.00 0.00 +0.019 A ATOM 35 C LIG 1 6.170 0.464 -0.388 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 7.409 3.976 -0.131 0.00 0.00 +0.099 C ATOM 37 N LIG 1 7.951 4.973 -0.376 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9