REMARK Name = BDB032375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.295 -0.633 -0.872 0.00 0.00 +0.139 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 1.851 -1.376 0.152 0.00 0.00 -0.043 A ATOM 3 C LIG 1 1.200 -2.156 -0.812 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -0.136 -1.911 -1.127 0.00 0.00 +0.128 A ATOM 5 F LIG 1 -0.723 -2.675 -2.059 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -0.860 -0.898 -0.498 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.202 -0.107 0.456 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.137 -0.346 0.779 0.00 0.00 +0.004 A BRANCH 2 9 ATOM 9 C LIG 1 3.301 -1.628 0.494 0.00 0.00 +0.050 C BRANCH 9 10 ATOM 10 C LIG 1 4.286 -0.709 -0.256 0.00 0.00 +0.089 C BRANCH 10 15 ATOM 11 C LIG 1 8.505 1.542 0.479 0.00 0.00 +0.105 C ATOM 12 N LIG 1 7.056 1.715 0.506 0.00 0.00 -0.303 NA ATOM 13 C LIG 1 6.468 1.477 -0.823 0.00 0.00 +0.099 C ATOM 14 C LIG 1 4.924 1.581 -0.805 0.00 0.00 +0.100 C ATOM 15 N LIG 1 4.255 0.700 0.178 0.00 0.00 -0.300 NA ATOM 16 C LIG 1 4.888 0.919 1.497 0.00 0.00 +0.100 C ATOM 17 C LIG 1 6.435 0.831 1.508 0.00 0.00 +0.099 C ENDBRANCH 10 15 ENDBRANCH 9 10 ENDBRANCH 2 9 ENDBRANCH 1 6 BRANCH 1 18 ATOM 18 N LIG 1 -3.130 -0.635 0.328 0.00 0.00 -0.340 N ATOM 19 H LIG 1 -2.878 -1.391 0.960 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 -4.515 -0.492 0.215 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -5.153 0.102 -0.880 0.00 0.00 +0.033 A ATOM 22 C LIG 1 -6.560 0.303 -0.940 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -7.346 -0.084 0.171 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -8.748 0.119 0.105 0.00 0.00 +0.124 A ATOM 25 N LIG 1 -9.366 0.661 -0.958 0.00 0.00 -0.239 NA ATOM 26 C LIG 1 -8.596 1.025 -2.004 0.00 0.00 +0.133 A ATOM 27 C LIG 1 -6.693 -0.643 1.291 0.00 0.00 +0.014 A ATOM 28 C LIG 1 -7.220 0.874 -2.047 0.00 0.00 +0.067 A ATOM 29 CL LIG 1 -6.393 1.394 -3.474 0.00 0.00 -0.081 Cl ATOM 30 C LIG 1 -5.308 -0.827 1.313 0.00 0.00 +0.023 A BRANCH 24 31 ATOM 31 N LIG 1 -9.591 -0.237 1.169 0.00 0.00 -0.343 N ATOM 32 H LIG 1 -9.320 0.277 2.001 0.00 0.00 +0.144 HD ATOM 33 H LIG 1 -9.500 -1.231 1.355 0.00 0.00 +0.144 HD ENDBRANCH 24 31 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 7