REMARK Name = BDB064471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.065 1.569 1.833 0.00 0.00 +0.246 C ATOM 2 N LIG 1 -0.243 1.189 1.655 0.00 0.00 -0.282 N ATOM 3 H LIG 1 -0.859 1.861 1.224 0.00 0.00 +0.151 HD ATOM 4 O LIG 1 1.842 1.050 2.622 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -0.880 0.371 2.660 0.00 0.00 +0.279 C ATOM 6 C LIG 1 -0.331 -1.065 2.869 0.00 0.00 +0.260 C ATOM 7 O LIG 1 0.037 -1.482 3.971 0.00 0.00 -0.271 OA ATOM 8 N LIG 1 -0.262 -1.916 1.799 0.00 0.00 -0.282 N ATOM 9 H LIG 1 0.315 -2.728 1.980 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.823 -1.748 0.530 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -1.933 -0.938 0.251 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -2.359 -0.792 -1.083 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -1.740 -1.502 -2.112 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -0.691 -2.365 -1.820 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -2.759 -0.294 1.322 0.00 0.00 +0.077 C ATOM 16 C LIG 1 -0.234 -2.486 -0.507 0.00 0.00 +0.024 A ATOM 17 N LIG 1 -2.305 0.315 2.364 0.00 0.00 -0.251 NA BRANCH 15 18 ATOM 18 C LIG 1 -4.252 -0.346 1.188 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.897 -1.514 0.761 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -6.289 -1.539 0.650 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.037 -0.408 0.976 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.399 0.749 1.422 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.008 0.780 1.534 0.00 0.00 +0.010 A ENDBRANCH 15 18 ENDBRANCH 2 5 BRANCH 1 25 ATOM 24 C LIG 1 1.591 2.692 -0.379 0.00 0.00 -0.021 A ATOM 25 C LIG 1 1.503 2.726 1.024 0.00 0.00 +0.041 A ATOM 26 C LIG 1 1.870 3.876 1.740 0.00 0.00 +0.013 A ATOM 27 C LIG 1 2.306 5.014 1.065 0.00 0.00 +0.001 A ATOM 28 C LIG 1 2.393 5.001 -0.324 0.00 0.00 +0.000 A ATOM 29 C LIG 1 2.047 3.851 -1.037 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 1.292 1.465 -1.213 0.00 0.00 +0.121 C BRANCH 30 35 ATOM 31 C LIG 1 4.748 -2.809 0.345 0.00 0.00 +0.172 C ATOM 32 N LIG 1 4.090 -2.429 -0.877 0.00 0.00 -0.270 N ATOM 33 C LIG 1 3.450 -1.282 -1.165 0.00 0.00 +0.057 A ATOM 34 C LIG 1 3.111 -0.035 -0.491 0.00 0.00 +0.140 C ATOM 35 N LIG 1 2.507 0.758 -1.619 0.00 0.00 -0.288 NA ATOM 36 C LIG 1 2.260 -0.144 -2.803 0.00 0.00 +0.123 C ATOM 37 C LIG 1 2.984 -1.362 -2.434 0.00 0.00 +0.008 A ATOM 38 C LIG 1 3.380 -2.615 -2.885 0.00 0.00 +0.139 A ATOM 39 N LIG 1 4.044 -3.293 -1.929 0.00 0.00 -0.179 NA ENDBRANCH 30 35 ENDBRANCH 24 30 ENDBRANCH 1 25 TORSDOF 5