REMARK Name = BDB055988 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.709 -1.052 -1.376 0.00 0.00 +0.094 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.569 -2.086 -2.428 0.00 0.00 -0.324 NA ATOM 3 H LIG 1 0.202 -1.857 -3.052 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 -1.412 -2.111 -2.999 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 0.591 -0.930 -0.521 0.00 0.00 +0.133 C BRANCH 5 6 ATOM 6 O LIG 1 0.971 -2.220 -0.052 0.00 0.00 -0.390 OA ATOM 7 H LIG 1 1.217 -2.737 -0.848 0.00 0.00 +0.210 HD ENDBRANCH 5 6 BRANCH 5 8 ATOM 8 C LIG 1 1.732 -0.248 -1.302 0.00 0.00 +0.046 C BRANCH 8 9 ATOM 9 C LIG 1 3.184 -0.347 -0.763 0.00 0.00 +0.080 C BRANCH 9 12 ATOM 10 N LIG 1 5.144 -1.949 -1.033 0.00 0.00 -0.270 N ATOM 11 H LIG 1 5.359 -2.924 -1.184 0.00 0.00 +0.156 HD ATOM 12 C LIG 1 3.808 -1.707 -1.127 0.00 0.00 +0.222 C ATOM 13 O LIG 1 3.112 -2.651 -1.526 0.00 0.00 -0.275 OA BRANCH 10 17 ATOM 14 C LIG 1 6.909 2.539 -1.059 0.00 0.00 +0.065 C ATOM 15 C LIG 1 7.144 1.060 -0.983 0.00 0.00 +0.040 A ATOM 16 N LIG 1 6.054 0.257 -1.039 0.00 0.00 -0.237 NA ATOM 17 C LIG 1 6.229 -1.073 -0.958 0.00 0.00 +0.125 A ATOM 18 C LIG 1 7.493 -1.643 -0.844 0.00 0.00 +0.044 A ATOM 19 C LIG 1 8.609 -0.812 -0.791 0.00 0.00 +0.005 A ATOM 20 C LIG 1 8.435 0.563 -0.859 0.00 0.00 +0.023 A ENDBRANCH 10 17 ENDBRANCH 9 12 BRANCH 9 21 ATOM 21 C LIG 1 3.420 0.081 0.714 0.00 0.00 -0.005 C ATOM 22 C LIG 1 2.943 -0.902 1.785 0.00 0.00 +0.008 C ATOM 23 C LIG 1 2.870 1.482 0.998 0.00 0.00 +0.008 C ENDBRANCH 9 21 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 1 24 ATOM 24 C LIG 1 -1.940 -1.398 -0.484 0.00 0.00 +0.106 C BRANCH 24 25 ATOM 25 N LIG 1 -2.289 -0.368 0.514 0.00 0.00 -0.286 NA ATOM 26 C LIG 1 -2.991 0.867 0.047 0.00 0.00 +0.033 C ATOM 27 C LIG 1 -3.631 0.777 -1.359 0.00 0.00 +0.029 C ATOM 28 C LIG 1 -1.941 1.997 0.032 0.00 0.00 +0.029 C ATOM 29 C LIG 1 -4.127 1.305 1.037 0.00 0.00 +0.135 C ATOM 30 N LIG 1 -5.029 0.198 1.340 0.00 0.00 -0.267 N ATOM 31 C LIG 1 -4.450 -1.056 1.574 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -5.064 -2.117 1.653 0.00 0.00 -0.274 OA ATOM 33 C LIG 1 -2.928 -0.985 1.704 0.00 0.00 +0.181 C BRANCH 30 34 ATOM 34 C LIG 1 -6.435 0.407 1.407 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -7.225 -0.037 2.487 0.00 0.00 +0.062 A ATOM 36 CL LIG 1 -6.547 -0.672 3.951 0.00 0.00 -0.082 Cl ATOM 37 C LIG 1 -8.613 0.160 2.478 0.00 0.00 +0.022 A ATOM 38 C LIG 1 -9.226 0.809 1.408 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -8.454 1.279 0.350 0.00 0.00 +0.002 A ATOM 40 C LIG 1 -7.069 1.085 0.353 0.00 0.00 +0.025 A ENDBRANCH 30 34 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11