REMARK Name = BDB053973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.733 -3.274 -1.030 0.00 0.00 +0.220 A ATOM 2 N LIG 1 0.365 -2.449 -0.042 0.00 0.00 -0.213 NA ATOM 3 C LIG 1 0.355 -2.928 1.212 0.00 0.00 +0.092 A ATOM 4 C LIG 1 0.703 -4.222 1.517 0.00 0.00 +0.049 A ATOM 5 C LIG 1 1.039 -5.005 0.443 0.00 0.00 +0.116 A ATOM 6 N LIG 1 1.051 -4.562 -0.828 0.00 0.00 -0.223 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.040 -1.966 2.244 0.00 0.00 +0.069 A ATOM 8 N LIG 1 -1.073 -1.035 2.133 0.00 0.00 -0.340 N ATOM 9 C LIG 1 -1.154 -0.317 3.304 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -2.131 0.757 3.653 0.00 0.00 +0.073 C ATOM 11 C LIG 1 -1.551 1.586 4.816 0.00 0.00 +0.110 C ATOM 12 N LIG 1 -0.902 0.783 5.848 0.00 0.00 -0.311 N ATOM 13 H LIG 1 -0.702 1.202 6.746 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 -0.059 -0.269 5.540 0.00 0.00 +0.246 C ATOM 15 O LIG 1 0.730 -0.719 6.362 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -0.203 -0.791 4.188 0.00 0.00 +0.058 A ATOM 17 C LIG 1 0.497 -1.817 3.519 0.00 0.00 +0.042 A BRANCH 8 18 ATOM 18 C LIG 1 -1.964 -0.865 0.988 0.00 0.00 +0.150 C BRANCH 18 19 ATOM 19 C LIG 1 -3.010 -1.969 0.877 0.00 0.00 +0.177 C BRANCH 19 20 ATOM 20 O LIG 1 -4.064 -1.748 1.813 0.00 0.00 -0.393 OA ATOM 21 H LIG 1 -4.640 -2.531 1.782 0.00 0.00 +0.209 HD ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 N LIG 1 0.763 -2.841 -2.350 0.00 0.00 -0.281 N ATOM 23 H LIG 1 0.951 -3.610 -2.977 0.00 0.00 +0.155 HD BRANCH 22 26 ATOM 24 C LIG 1 0.646 0.900 -2.784 0.00 0.00 +0.032 A ATOM 25 C LIG 1 0.768 -0.376 -2.210 0.00 0.00 +0.050 A ATOM 26 C LIG 1 0.688 -1.570 -2.950 0.00 0.00 +0.078 A ATOM 27 C LIG 1 0.468 -1.486 -4.339 0.00 0.00 +0.151 A ATOM 28 C LIG 1 0.336 -0.233 -4.938 0.00 0.00 +0.050 A ATOM 29 C LIG 1 0.419 0.934 -4.165 0.00 0.00 +0.027 A BRANCH 24 34 ATOM 30 C LIG 1 2.208 4.814 0.680 0.00 0.00 +0.105 C ATOM 31 N LIG 1 1.238 4.514 -0.371 0.00 0.00 -0.302 NA ATOM 32 C LIG 1 0.331 3.416 0.022 0.00 0.00 +0.103 C ATOM 33 C LIG 1 0.676 2.024 -0.554 0.00 0.00 +0.120 C ATOM 34 N LIG 1 0.729 2.058 -2.027 0.00 0.00 -0.327 N ATOM 35 C LIG 1 1.108 3.350 -2.631 0.00 0.00 +0.120 C ATOM 36 C LIG 1 1.934 4.204 -1.640 0.00 0.00 +0.103 C ENDBRANCH 24 34 BRANCH 27 37 ATOM 37 O LIG 1 0.399 -2.691 -4.991 0.00 0.00 -0.404 OA BRANCH 37 38 ATOM 38 C LIG 1 0.177 -2.679 -6.389 0.00 0.00 +0.575 C ATOM 39 F LIG 1 -1.002 -2.098 -6.694 0.00 0.00 -0.133 F ATOM 40 F LIG 1 0.141 -3.956 -6.829 0.00 0.00 -0.133 F ATOM 41 F LIG 1 1.177 -2.042 -7.035 0.00 0.00 -0.133 F ENDBRANCH 37 38 ENDBRANCH 27 37 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 9