REMARK Name = BDB052557 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.576 0.702 1.254 0.00 0.00 +0.076 A ATOM 2 C LIG 1 -1.789 0.382 0.565 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -2.778 0.872 1.392 0.00 0.00 +0.140 A ATOM 4 N LIG 1 -4.131 0.814 1.177 0.00 0.00 -0.307 N ATOM 5 H LIG 1 -4.812 1.192 1.822 0.00 0.00 +0.170 HD ATOM 6 C LIG 1 -4.609 0.216 0.032 0.00 0.00 +0.258 A ATOM 7 C LIG 1 -3.611 -0.347 -0.930 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -4.092 -0.957 -2.098 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -3.199 -1.494 -3.021 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.831 -1.421 -2.777 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -1.348 -0.812 -1.611 0.00 0.00 +0.009 A ATOM 12 O LIG 1 -5.816 0.152 -0.184 0.00 0.00 -0.267 OA ATOM 13 N LIG 1 -2.165 1.429 2.471 0.00 0.00 -0.251 N ATOM 14 C LIG 1 -2.788 2.068 3.604 0.00 0.00 +0.174 C ATOM 15 C LIG 1 -2.223 -0.265 -0.668 0.00 0.00 -0.000 A ATOM 16 N LIG 1 -0.829 1.339 2.413 0.00 0.00 -0.174 NA ENDROOT BRANCH 1 20 ATOM 17 N LIG 1 2.950 -0.562 -0.805 0.00 0.00 -0.303 NA ATOM 18 C LIG 1 2.697 -1.234 0.474 0.00 0.00 +0.085 C ATOM 19 C LIG 1 1.250 -1.022 0.912 0.00 0.00 +0.025 C ATOM 20 C LIG 1 0.877 0.466 0.932 0.00 0.00 +0.043 C ATOM 21 C LIG 1 1.347 1.236 -0.308 0.00 0.00 +0.025 C ATOM 22 C LIG 1 2.788 0.890 -0.673 0.00 0.00 +0.085 C BRANCH 17 24 ATOM 23 C LIG 1 5.494 -0.561 -0.600 0.00 0.00 +0.020 C ATOM 24 C LIG 1 4.244 -0.935 -1.393 0.00 0.00 +0.081 C ENDBRANCH 17 24 ENDBRANCH 1 20 TORSDOF 2