REMARK Name = BDB019833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.623 0.103 -0.752 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.549 1.280 0.004 0.00 0.00 +0.021 A ATOM 3 C LIG 1 1.718 1.924 0.437 0.00 0.00 -0.016 A ATOM 4 C LIG 1 2.959 1.365 0.083 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.045 0.185 -0.678 0.00 0.00 -0.026 A ATOM 6 C LIG 1 1.863 -0.437 -1.099 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.641 3.164 1.231 0.00 0.00 -0.000 A ATOM 8 C LIG 1 2.115 3.252 2.561 0.00 0.00 +0.062 A ATOM 9 C LIG 1 2.013 4.457 3.272 0.00 0.00 +0.057 A ATOM 10 C LIG 1 1.442 5.569 2.667 0.00 0.00 +0.125 A ATOM 11 F LIG 1 1.348 6.715 3.353 0.00 0.00 -0.205 F ATOM 12 C LIG 1 0.969 5.509 1.365 0.00 0.00 +0.039 A ATOM 13 C LIG 1 1.067 4.314 0.651 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 2.704 2.124 3.228 0.00 0.00 +0.100 C ATOM 15 N LIG 1 3.197 1.224 3.771 0.00 0.00 -0.191 NA ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 -1.625 -0.667 -0.307 0.00 0.00 -0.304 N ATOM 17 H LIG 1 -1.490 -0.330 0.633 0.00 0.00 +0.150 HD ATOM 18 C LIG 1 -0.606 -0.576 -1.227 0.00 0.00 +0.245 C ATOM 19 O LIG 1 -0.655 -1.019 -2.367 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 -2.924 -1.194 -0.665 0.00 0.00 +0.107 C BRANCH 20 27 ATOM 21 C LIG 1 -5.734 1.164 -4.137 0.00 0.00 +0.047 C ATOM 22 C LIG 1 -5.204 1.081 -2.739 0.00 0.00 -0.015 A ATOM 23 C LIG 1 -5.590 2.018 -1.781 0.00 0.00 +0.126 A ATOM 24 F LIG 1 -6.423 3.014 -2.116 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -5.122 1.948 -0.473 0.00 0.00 +0.039 A ATOM 26 C LIG 1 -4.260 0.917 -0.101 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -3.870 -0.061 -1.032 0.00 0.00 -0.027 A ATOM 28 C LIG 1 -4.349 0.038 -2.353 0.00 0.00 +0.011 A ENDBRANCH 20 27 BRANCH 20 29 ATOM 29 C LIG 1 -3.463 -2.003 0.490 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -3.021 -3.435 0.678 0.00 0.00 +0.006 C ATOM 31 C LIG 1 -4.430 -3.137 0.248 0.00 0.00 +0.006 C ENDBRANCH 20 29 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 32 ATOM 32 C LIG 1 4.392 -0.424 -1.001 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 4.644 -1.591 -0.182 0.00 0.00 -0.313 N ATOM 34 C LIG 1 4.520 -2.924 -0.596 0.00 0.00 +0.204 A ATOM 35 N LIG 1 4.204 -3.409 -1.743 0.00 0.00 -0.268 NA ATOM 36 H LIG 1 4.036 -2.658 -2.409 0.00 0.00 +0.190 HD ATOM 37 N LIG 1 4.812 -3.666 0.552 0.00 0.00 -0.320 N ATOM 38 C LIG 1 4.671 -5.099 0.618 0.00 0.00 +0.152 C ATOM 39 C LIG 1 5.041 -2.817 1.621 0.00 0.00 +0.106 A ATOM 40 C LIG 1 4.949 -1.557 1.177 0.00 0.00 +0.107 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8