REMARK Name = BDB032405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.485 0.647 -0.674 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -0.120 1.785 -0.129 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -1.509 1.871 -0.050 0.00 0.00 +0.128 A ATOM 4 F LIG 1 -2.054 2.981 0.468 0.00 0.00 -0.205 F ATOM 5 C LIG 1 -2.329 0.833 -0.494 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.721 -0.305 -1.045 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -0.329 -0.400 -1.128 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.990 0.536 -0.747 0.00 0.00 +0.050 C BRANCH 8 9 ATOM 9 C LIG 1 2.573 -0.121 0.514 0.00 0.00 +0.089 C BRANCH 9 13 ATOM 10 N LIG 1 6.851 -0.496 0.156 0.00 0.00 -0.294 NA ATOM 11 C LIG 1 5.834 -0.621 -0.927 0.00 0.00 +0.072 C ATOM 12 C LIG 1 4.576 -1.332 -0.346 0.00 0.00 +0.103 C ATOM 13 N LIG 1 4.017 -0.324 0.584 0.00 0.00 -0.296 NA ATOM 14 C LIG 1 4.878 0.862 0.378 0.00 0.00 +0.072 C ATOM 15 C LIG 1 5.294 0.790 -1.082 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.247 0.550 1.045 0.00 0.00 +0.104 C BRANCH 10 18 ATOM 17 C LIG 1 8.777 -1.190 -1.271 0.00 0.00 +0.024 C ATOM 18 C LIG 1 8.218 -0.161 -0.278 0.00 0.00 +0.051 C ATOM 19 C LIG 1 9.163 -0.123 0.935 0.00 0.00 +0.024 C ENDBRANCH 10 18 ENDBRANCH 9 13 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 5 20 ATOM 20 C LIG 1 -3.830 0.955 -0.420 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 N LIG 1 -4.390 -0.212 0.257 0.00 0.00 -0.340 N ATOM 22 H LIG 1 -3.849 -0.463 1.083 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -5.764 -0.285 0.501 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -6.726 0.422 -0.230 0.00 0.00 +0.033 A ATOM 25 C LIG 1 -8.124 0.275 -0.012 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -8.563 -0.650 0.964 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -9.958 -0.791 1.177 0.00 0.00 +0.124 A ATOM 28 N LIG 1 -10.882 -0.091 0.496 0.00 0.00 -0.239 NA ATOM 29 C LIG 1 -10.441 0.782 -0.431 0.00 0.00 +0.133 A ATOM 30 C LIG 1 -7.590 -1.392 1.669 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -9.103 1.001 -0.721 0.00 0.00 +0.067 A ATOM 32 CL LIG 1 -8.719 2.163 -1.941 0.00 0.00 -0.081 Cl ATOM 33 C LIG 1 -6.224 -1.219 1.429 0.00 0.00 +0.023 A BRANCH 27 34 ATOM 34 N LIG 1 -10.467 -1.690 2.126 0.00 0.00 -0.343 N ATOM 35 H LIG 1 -10.108 -1.453 3.045 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -10.172 -2.632 1.892 0.00 0.00 +0.144 HD ENDBRANCH 27 34 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 5 20 TORSDOF 8