REMARK Name = BDB034339 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.011 1.308 2.543 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.918 1.291 1.469 0.00 0.00 +0.021 A ATOM 3 C LIG 1 2.280 1.082 1.797 0.00 0.00 +0.076 A ATOM 4 C LIG 1 3.225 1.061 0.781 0.00 0.00 +0.074 A ATOM 5 C LIG 1 2.861 1.217 -0.558 0.00 0.00 +0.130 A ATOM 6 C LIG 1 1.533 1.438 -0.896 0.00 0.00 +0.047 A ATOM 7 N LIG 1 2.708 0.894 3.055 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 1.794 0.892 4.045 0.00 0.00 +0.113 A ATOM 9 C LIG 1 0.566 1.466 0.108 0.00 0.00 +0.015 A ATOM 10 C LIG 1 0.444 1.081 3.842 0.00 0.00 +0.043 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -1.411 1.460 2.356 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -1.592 2.029 1.532 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -2.086 0.157 2.225 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -3.592 0.389 2.108 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -4.385 -0.918 2.039 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -4.032 -1.787 0.913 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -4.464 -2.699 1.055 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -4.460 -1.273 -0.395 0.00 0.00 +0.120 C BRANCH 18 20 ATOM 19 C LIG 1 -6.786 -0.219 -0.571 0.00 0.00 +0.125 A ATOM 20 C LIG 1 -5.954 -1.357 -0.624 0.00 0.00 +0.011 A ATOM 21 C LIG 1 -6.529 -2.615 -0.885 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -7.898 -2.728 -1.087 0.00 0.00 +0.124 A ATOM 23 F LIG 1 -8.432 -3.933 -1.330 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -8.720 -1.613 -1.036 0.00 0.00 +0.042 A ATOM 25 C LIG 1 -8.165 -0.357 -0.778 0.00 0.00 +0.049 A BRANCH 19 27 ATOM 26 C LIG 1 -6.972 2.130 -0.172 0.00 0.00 +0.277 C ATOM 27 O LIG 1 -6.158 0.971 -0.311 0.00 0.00 -0.495 OA ENDBRANCH 19 27 ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 28 ATOM 28 O LIG 1 3.776 1.229 -1.585 0.00 0.00 -0.456 OA BRANCH 28 29 ATOM 29 C LIG 1 4.734 0.237 -1.590 0.00 0.00 +0.130 A ATOM 30 C LIG 1 6.057 0.635 -1.826 0.00 0.00 +0.069 A ATOM 31 C LIG 1 7.116 -0.289 -1.870 0.00 0.00 +0.033 A ATOM 32 C LIG 1 6.758 -1.642 -1.709 0.00 0.00 +0.023 A ATOM 33 C LIG 1 5.434 -2.050 -1.497 0.00 0.00 +0.005 A ATOM 34 C LIG 1 4.416 -1.109 -1.442 0.00 0.00 +0.046 A BRANCH 31 35 ATOM 35 N LIG 1 8.444 0.097 -2.106 0.00 0.00 -0.336 N ATOM 36 C LIG 1 8.770 1.521 -2.158 0.00 0.00 +0.129 C ATOM 37 C LIG 1 9.508 -0.771 -1.599 0.00 0.00 +0.129 C ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 11