REMARK Name = BDB030389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.960 0.979 -0.818 0.00 0.00 -0.004 A ATOM 2 C LIG 1 -0.111 1.325 0.231 0.00 0.00 +0.164 A ATOM 3 F LIG 1 -0.503 2.245 1.125 0.00 0.00 -0.202 F ATOM 4 C LIG 1 1.145 0.735 0.372 0.00 0.00 +0.180 A ATOM 5 F LIG 1 1.877 1.083 1.443 0.00 0.00 -0.200 F ATOM 6 C LIG 1 1.621 -0.223 -0.540 0.00 0.00 +0.082 A ATOM 7 C LIG 1 0.734 -0.621 -1.572 0.00 0.00 +0.061 A ATOM 8 C LIG 1 -0.524 0.001 -1.722 0.00 0.00 +0.021 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 1.123 -1.699 -2.529 0.00 0.00 +0.243 C ATOM 10 O LIG 1 2.295 -1.983 -2.745 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 0.119 -2.416 -3.123 0.00 0.00 -0.325 N ATOM 12 H LIG 1 0.423 -3.230 -3.645 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 -0.810 -2.458 -2.727 0.00 0.00 +0.145 HD ENDBRANCH 7 9 BRANCH 6 14 ATOM 14 N LIG 1 2.907 -0.806 -0.425 0.00 0.00 -0.309 N ATOM 15 H LIG 1 3.062 -1.563 -1.106 0.00 0.00 +0.152 HD BRANCH 14 16 ATOM 16 C LIG 1 4.157 -0.286 -0.018 0.00 0.00 +0.067 A ATOM 17 C LIG 1 5.215 -1.180 0.210 0.00 0.00 +0.145 A ATOM 18 F LIG 1 5.023 -2.494 0.006 0.00 0.00 -0.204 F ATOM 19 C LIG 1 6.471 -0.754 0.642 0.00 0.00 +0.044 A ATOM 20 C LIG 1 6.730 0.604 0.865 0.00 0.00 -0.041 A ATOM 21 C LIG 1 5.672 1.500 0.648 0.00 0.00 +0.006 A ATOM 22 C LIG 1 4.409 1.066 0.214 0.00 0.00 +0.026 A BRANCH 20 23 ATOM 23 C LIG 1 8.078 1.079 1.348 0.00 0.00 +0.019 C ATOM 24 C LIG 1 8.832 2.134 0.572 0.00 0.00 +0.009 C ATOM 25 C LIG 1 9.329 0.721 0.580 0.00 0.00 +0.009 C ENDBRANCH 20 23 ENDBRANCH 14 16 ENDBRANCH 6 14 BRANCH 1 26 ATOM 26 C LIG 1 -2.308 1.643 -0.971 0.00 0.00 +0.076 C BRANCH 26 30 ATOM 27 C LIG 1 -4.929 -0.733 0.467 0.00 0.00 +0.084 A ATOM 28 C LIG 1 -3.865 0.169 0.360 0.00 0.00 +0.149 A ATOM 29 F LIG 1 -3.203 0.525 1.472 0.00 0.00 -0.203 F ATOM 30 C LIG 1 -3.471 0.686 -0.878 0.00 0.00 -0.006 A ATOM 31 C LIG 1 -4.176 0.288 -2.023 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -5.245 -0.607 -1.922 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -5.624 -1.116 -0.678 0.00 0.00 +0.027 A BRANCH 27 34 ATOM 34 N LIG 1 -5.335 -1.198 1.767 0.00 0.00 -0.204 N ATOM 35 H LIG 1 -4.567 -1.093 2.437 0.00 0.00 +0.175 HD BRANCH 34 36 ATOM 36 S LIG 1 -6.649 -0.387 2.443 0.00 0.00 +0.109 S ATOM 37 O LIG 1 -6.767 -0.838 3.808 0.00 0.00 -0.138 OA ATOM 38 O LIG 1 -6.598 1.010 2.095 0.00 0.00 -0.138 OA BRANCH 36 40 ATOM 39 C LIG 1 -9.191 -0.432 1.700 0.00 0.00 +0.129 C ATOM 40 N LIG 1 -7.898 -1.126 1.595 0.00 0.00 -0.180 NA ATOM 41 H LIG 1 -7.963 -2.087 1.933 0.00 0.00 +0.149 HD ENDBRANCH 36 40 ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 9