REMARK Name = BDB038336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.463 2.268 -0.762 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.690 1.586 -0.642 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.747 0.470 0.105 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.387 -0.012 0.754 0.00 0.00 +0.052 A ATOM 5 C LIG 1 1.605 0.670 0.632 0.00 0.00 -0.011 A ATOM 6 C LIG 1 1.619 1.844 -0.125 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.982 -0.205 0.211 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -3.150 0.172 -0.452 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -3.386 1.059 -1.251 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -4.194 -0.769 -0.023 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -5.525 -0.814 -0.395 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -6.316 -1.819 0.161 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.765 -2.747 1.065 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.408 -2.690 1.434 0.00 0.00 +0.060 A ATOM 15 C LIG 1 -3.635 -1.678 0.870 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -2.188 -1.361 1.062 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -3.806 -3.675 2.399 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -4.676 -4.621 2.841 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -2.757 -4.350 1.851 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -3.307 -3.066 3.510 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 2.830 0.162 1.281 0.00 0.00 -0.007 A ATOM 22 C LIG 1 4.019 -0.132 0.563 0.00 0.00 +0.030 A ATOM 23 C LIG 1 5.162 -0.570 1.252 0.00 0.00 +0.050 A ATOM 24 C LIG 1 5.125 -0.744 2.628 0.00 0.00 +0.124 A ATOM 25 F LIG 1 6.219 -1.174 3.270 0.00 0.00 -0.205 F ATOM 26 C LIG 1 3.971 -0.478 3.349 0.00 0.00 +0.039 A ATOM 27 C LIG 1 2.833 -0.024 2.680 0.00 0.00 +0.012 A BRANCH 22 28 ATOM 28 C LIG 1 4.130 0.029 -0.886 0.00 0.00 +0.164 A ATOM 29 N LIG 1 3.477 -0.704 -1.846 0.00 0.00 -0.317 N ATOM 30 C LIG 1 2.587 -1.819 -1.670 0.00 0.00 +0.152 C ATOM 31 C LIG 1 3.864 -0.194 -3.048 0.00 0.00 +0.225 A ATOM 32 N LIG 1 4.723 0.777 -2.856 0.00 0.00 -0.138 NA ATOM 33 N LIG 1 4.903 0.908 -1.500 0.00 0.00 -0.129 NA ENDBRANCH 22 28 ENDBRANCH 5 21 BRANCH 1 34 ATOM 34 N LIG 1 0.512 3.463 -1.501 0.00 0.00 -0.329 N ATOM 35 H LIG 1 1.304 3.428 -2.137 0.00 0.00 +0.147 HD BRANCH 34 37 ATOM 36 C LIG 1 -0.569 5.101 -2.936 0.00 0.00 +0.024 C ATOM 37 C LIG 1 -0.736 3.786 -2.191 0.00 0.00 +0.099 C ENDBRANCH 34 37 ENDBRANCH 1 34 TORSDOF 6