REMARK Name = BDB051816 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.620 2.200 1.044 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.525 2.175 2.431 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.667 2.191 3.043 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.676 2.140 3.210 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.931 2.133 2.595 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.050 2.156 1.193 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.877 2.220 0.424 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 N LIG 1 3.438 -0.930 -0.100 0.00 0.00 -0.312 N ATOM 9 C LIG 1 2.043 -1.201 0.286 0.00 0.00 +0.125 C ATOM 10 C LIG 1 1.380 -0.004 0.999 0.00 0.00 +0.127 C ATOM 11 N LIG 1 1.530 1.261 0.267 0.00 0.00 -0.294 N ATOM 12 C LIG 1 0.583 2.273 0.198 0.00 0.00 +0.249 C ATOM 13 O LIG 1 0.672 3.229 -0.570 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.761 1.413 -0.512 0.00 0.00 +0.127 C ATOM 15 C LIG 1 3.884 0.473 -0.048 0.00 0.00 +0.125 C BRANCH 8 19 ATOM 16 C LIG 1 6.395 -3.783 0.617 0.00 0.00 +0.070 A ATOM 17 C LIG 1 6.596 -2.424 0.765 0.00 0.00 +0.131 A ATOM 18 N LIG 1 5.641 -1.489 0.537 0.00 0.00 -0.239 NA ATOM 19 C LIG 1 4.409 -1.891 0.150 0.00 0.00 +0.121 A ATOM 20 C LIG 1 4.144 -3.251 -0.036 0.00 0.00 +0.045 A ATOM 21 C LIG 1 5.139 -4.204 0.202 0.00 0.00 +0.024 A BRANCH 16 23 ATOM 22 N LIG 1 8.304 -5.465 1.087 0.00 0.00 -0.191 NA ATOM 23 C LIG 1 7.449 -4.710 0.875 0.00 0.00 +0.101 C ENDBRANCH 16 23 ENDBRANCH 8 19 ENDBRANCH 1 12 BRANCH 6 24 ATOM 24 C LIG 1 -4.434 2.186 0.570 0.00 0.00 +0.090 C BRANCH 24 25 ATOM 25 C LIG 1 -4.547 1.584 -0.812 0.00 0.00 +0.046 A ATOM 26 N LIG 1 -4.503 0.187 -1.058 0.00 0.00 -0.296 N ATOM 27 C LIG 1 -4.564 -0.288 -2.371 0.00 0.00 +0.114 A ATOM 28 C LIG 1 -4.454 -1.665 -2.370 0.00 0.00 +0.054 A ATOM 29 C LIG 1 -4.353 -2.070 -1.029 0.00 0.00 +0.078 A ATOM 30 CL LIG 1 -4.214 -3.688 -0.528 0.00 0.00 -0.080 Cl ATOM 31 C LIG 1 -4.713 0.606 -3.493 0.00 0.00 +0.273 A ATOM 32 O LIG 1 -4.779 0.248 -4.664 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -4.779 1.938 -3.150 0.00 0.00 -0.326 N ATOM 34 H LIG 1 -4.876 2.579 -3.930 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 -4.407 -0.937 -0.253 0.00 0.00 +0.133 A ATOM 36 CL LIG 1 -4.395 -0.872 1.455 0.00 0.00 -0.062 Cl ATOM 37 C LIG 1 -4.695 2.415 -1.867 0.00 0.00 +0.108 A ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 5