REMARK Name = BDB021369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.675 0.373 -0.351 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.059 0.156 -1.550 0.00 0.00 +0.151 A ATOM 3 N LIG 1 1.430 0.312 -1.472 0.00 0.00 -0.270 N ATOM 4 C LIG 1 1.939 0.036 -2.722 0.00 0.00 +0.134 A ATOM 5 C LIG 1 0.841 -0.261 -3.497 0.00 0.00 +0.159 A ATOM 6 C LIG 1 2.098 0.676 -0.283 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.406 0.857 0.809 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.318 -0.184 -2.768 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.037 0.700 0.747 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -2.054 -2.287 -0.406 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.801 -0.992 -0.235 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -2.143 0.253 -0.226 0.00 0.00 -0.010 A ATOM 13 C LIG 1 -2.900 1.426 -0.096 0.00 0.00 +0.009 A ATOM 14 C LIG 1 -4.290 1.369 0.025 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -4.968 0.141 0.029 0.00 0.00 -0.030 A ATOM 16 C LIG 1 -4.206 -1.028 -0.125 0.00 0.00 +0.009 A BRANCH 15 17 ATOM 17 C LIG 1 -6.481 0.120 0.115 0.00 0.00 +0.084 C ATOM 18 N LIG 1 -7.006 1.049 1.139 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 -6.518 0.847 2.012 0.00 0.00 +0.123 HD ATOM 20 C LIG 1 -8.418 0.689 1.299 0.00 0.00 +0.081 C ATOM 21 C LIG 1 -8.514 -0.801 1.009 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -7.125 -1.200 0.537 0.00 0.00 +0.025 C ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 23 ATOM 23 C LIG 1 0.836 -0.622 -4.883 0.00 0.00 +0.121 C ATOM 24 N LIG 1 0.876 -0.913 -6.006 0.00 0.00 -0.189 NA ENDBRANCH 5 23 BRANCH 6 25 ATOM 25 N LIG 1 3.469 0.821 -0.313 0.00 0.00 -0.310 N ATOM 26 H LIG 1 3.890 1.034 -1.210 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 4.180 1.425 0.800 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 5.655 1.222 0.617 0.00 0.00 +0.012 A ATOM 29 C LIG 1 6.261 -0.019 0.792 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.663 -1.336 1.122 0.00 0.00 +0.080 C ATOM 31 C LIG 1 6.940 -2.115 1.434 0.00 0.00 +0.234 C ATOM 32 O LIG 1 8.058 -1.473 0.778 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 7.624 -0.188 0.583 0.00 0.00 +0.124 A ATOM 34 C LIG 1 8.443 0.852 0.192 0.00 0.00 +0.049 A ATOM 35 C LIG 1 7.861 2.107 0.017 0.00 0.00 +0.042 A ATOM 36 C LIG 1 6.486 2.280 0.227 0.00 0.00 +0.129 A ATOM 37 F LIG 1 5.958 3.497 0.028 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 6