REMARK Name = BDB019864 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.014 1.019 -1.057 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.856 1.941 -1.683 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -2.024 1.503 -2.316 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -2.330 0.133 -2.337 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -1.482 -0.806 -1.730 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.313 -0.347 -1.107 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.917 2.454 -2.965 0.00 0.00 +0.069 A ATOM 8 N LIG 1 -3.673 3.416 -2.325 0.00 0.00 -0.261 N ATOM 9 N LIG 1 -4.408 4.165 -3.178 0.00 0.00 -0.179 NA ATOM 10 C LIG 1 -4.122 3.663 -4.379 0.00 0.00 +0.135 A ATOM 11 C LIG 1 -3.214 2.596 -4.308 0.00 0.00 +0.049 A BRANCH 8 12 ATOM 12 C LIG 1 -3.773 3.676 -0.889 0.00 0.00 +0.102 C ATOM 13 C LIG 1 -3.152 5.025 -0.529 0.00 0.00 +0.032 C ATOM 14 C LIG 1 -5.217 3.578 -0.396 0.00 0.00 +0.032 C ENDBRANCH 8 12 ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.549 0.811 0.775 0.00 0.00 -0.304 N ATOM 16 H LIG 1 0.958 0.066 1.114 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.206 1.504 -0.362 0.00 0.00 +0.245 C ATOM 18 O LIG 1 1.815 2.474 -0.795 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 2.814 1.002 1.454 0.00 0.00 +0.107 C BRANCH 19 26 ATOM 20 C LIG 1 4.025 -3.796 0.268 0.00 0.00 +0.047 C ATOM 21 C LIG 1 4.429 -2.371 0.494 0.00 0.00 -0.015 A ATOM 22 C LIG 1 5.747 -1.961 0.295 0.00 0.00 +0.126 A ATOM 23 F LIG 1 6.678 -2.852 -0.075 0.00 0.00 -0.205 F ATOM 24 C LIG 1 6.123 -0.635 0.475 0.00 0.00 +0.039 A ATOM 25 C LIG 1 5.170 0.311 0.851 0.00 0.00 +0.008 A ATOM 26 C LIG 1 3.827 -0.059 1.044 0.00 0.00 -0.027 A ATOM 27 C LIG 1 3.473 -1.410 0.855 0.00 0.00 +0.011 A ENDBRANCH 19 26 BRANCH 19 28 ATOM 28 C LIG 1 2.541 1.079 2.939 0.00 0.00 +0.014 C ATOM 29 C LIG 1 3.434 0.493 4.010 0.00 0.00 +0.006 C ATOM 30 C LIG 1 2.074 -0.100 3.764 0.00 0.00 +0.006 C ENDBRANCH 19 28 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 31 ATOM 31 C LIG 1 -1.807 -2.286 -1.767 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -1.822 -2.858 -0.434 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -0.739 -3.472 0.207 0.00 0.00 +0.204 A ATOM 34 N LIG 1 0.427 -3.769 -0.242 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 0.496 -3.519 -1.228 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -1.193 -3.696 1.509 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -0.439 -4.433 2.493 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -2.505 -3.268 1.635 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -2.883 -2.743 0.462 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8