REMARK Name = BDB056324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.641 -1.092 -1.245 0.00 0.00 +0.160 C ATOM 2 C LIG 1 0.780 -1.006 0.011 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.299 -0.620 1.069 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.555 -1.400 -0.060 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -1.237 -1.958 -1.208 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.635 -2.696 -2.252 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -1.454 -3.187 -3.308 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -2.825 -2.971 -3.356 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -3.421 -2.255 -2.341 0.00 0.00 +0.002 A ATOM 10 C LIG 1 0.810 -3.113 -2.417 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -2.640 -1.765 -1.291 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.869 -2.569 -1.484 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.054 0.923 -1.306 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.908 -0.411 -0.969 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.349 -0.683 -0.097 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 2.260 1.525 -2.026 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.284 1.607 -0.664 0.00 0.00 +0.137 C ATOM 18 C LIG 1 3.807 2.332 0.594 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 6.022 3.261 -1.182 0.00 0.00 +0.101 C ATOM 20 N LIG 1 4.905 2.480 -1.679 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 4.180 3.093 -2.062 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.321 -1.197 1.186 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -1.956 0.178 1.387 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -2.840 0.402 2.488 0.00 0.00 -0.013 A ATOM 25 C LIG 1 -3.427 1.685 2.648 0.00 0.00 -0.018 A ATOM 26 C LIG 1 -4.307 1.932 3.715 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -4.619 0.935 4.636 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -4.051 -0.324 4.503 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.127 2.711 1.744 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -2.254 2.493 0.685 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.175 -0.586 3.446 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -1.673 1.242 0.509 0.00 0.00 +0.006 A ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 5