REMARK Name = BDB000023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.190 0.983 -0.948 0.00 0.00 -0.313 N ATOM 2 H LIG 1 0.146 0.180 -0.314 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.711 2.002 -0.611 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.796 1.743 0.217 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -2.185 0.508 0.900 0.00 0.00 +0.256 C ATOM 6 N LIG 1 -3.355 0.768 1.559 0.00 0.00 -0.222 N ATOM 7 C LIG 1 -3.715 2.082 1.433 0.00 0.00 +0.255 C ATOM 8 O LIG 1 -4.661 2.664 1.928 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 -1.531 -0.519 0.874 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -2.731 2.707 0.552 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -2.650 4.002 0.086 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -1.571 4.306 -0.745 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -0.619 3.318 -1.087 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 -4.011 -0.141 2.487 0.00 0.00 +0.171 C ATOM 15 C LIG 1 -3.198 -0.211 3.784 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -2.409 0.660 4.146 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -3.442 -1.305 4.583 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -2.904 -1.351 5.438 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -4.162 -2.430 4.268 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -4.193 -3.396 5.025 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.949 -2.389 2.978 0.00 0.00 +0.098 C ATOM 22 C LIG 1 -4.240 -1.544 1.931 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 24 ATOM 23 C LIG 1 2.230 -0.018 -1.867 0.00 0.00 +0.005 A ATOM 24 C LIG 1 1.072 0.789 -2.036 0.00 0.00 +0.040 A ATOM 25 C LIG 1 0.852 1.424 -3.273 0.00 0.00 +0.035 A ATOM 26 C LIG 1 1.766 1.258 -4.329 0.00 0.00 +0.021 A ATOM 27 C LIG 1 1.867 1.708 -5.663 0.00 0.00 +0.143 A ATOM 28 N LIG 1 2.962 1.255 -6.278 0.00 0.00 -0.179 NA ATOM 29 N LIG 1 3.569 0.511 -5.332 0.00 0.00 -0.267 N ATOM 30 C LIG 1 4.811 -0.156 -5.641 0.00 0.00 +0.173 C ATOM 31 C LIG 1 2.891 0.468 -4.138 0.00 0.00 +0.069 A ATOM 32 C LIG 1 3.150 -0.182 -2.925 0.00 0.00 +0.038 A BRANCH 23 37 ATOM 33 C LIG 1 3.052 -2.007 1.857 0.00 0.00 +0.155 A ATOM 34 C LIG 1 3.683 -0.803 1.526 0.00 0.00 +0.165 A ATOM 35 F LIG 1 4.559 -0.247 2.377 0.00 0.00 -0.202 F ATOM 36 C LIG 1 3.424 -0.152 0.322 0.00 0.00 +0.050 A ATOM 37 C LIG 1 2.518 -0.699 -0.593 0.00 0.00 -0.013 A ATOM 38 C LIG 1 1.889 -1.911 -0.268 0.00 0.00 +0.012 A ATOM 39 C LIG 1 2.150 -2.559 0.947 0.00 0.00 +0.049 A BRANCH 33 41 ATOM 40 C LIG 1 2.705 -3.722 3.471 0.00 0.00 +0.277 C ATOM 41 O LIG 1 3.391 -2.544 3.069 0.00 0.00 -0.492 OA ENDBRANCH 33 41 ENDBRANCH 23 37 ENDBRANCH 1 24 TORSDOF 5