REMARK Name = BDB028429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.617 -0.464 -2.086 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.348 -0.132 -1.590 0.00 0.00 +0.019 A ATOM 3 C LIG 1 0.694 -1.067 -1.644 0.00 0.00 +0.012 A ATOM 4 C LIG 1 0.462 -2.321 -2.202 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.558 -3.303 -2.243 0.00 0.00 +0.272 A ATOM 6 N LIG 1 2.755 -2.895 -1.706 0.00 0.00 -0.242 N ATOM 7 H LIG 1 3.522 -3.560 -1.724 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 3.013 -1.679 -1.152 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 1.398 -4.418 -2.725 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -0.798 -2.654 -2.712 0.00 0.00 +0.014 A ATOM 11 C LIG 1 2.054 -0.797 -1.117 0.00 0.00 +0.086 A ATOM 12 C LIG 1 -1.837 -1.725 -2.654 0.00 0.00 +0.009 A ENDROOT BRANCH 1 18 ATOM 13 C LIG 1 -3.861 0.320 -1.250 0.00 0.00 +0.078 A ATOM 14 N LIG 1 -4.560 1.500 -1.411 0.00 0.00 -0.266 N ATOM 15 C LIG 1 -5.826 1.864 -0.814 0.00 0.00 +0.173 C ATOM 16 N LIG 1 -3.945 2.389 -2.212 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 -2.803 1.787 -2.542 0.00 0.00 +0.143 A ATOM 18 C LIG 1 -2.696 0.496 -1.987 0.00 0.00 +0.027 A BRANCH 13 21 ATOM 19 C LIG 1 -4.174 -2.286 1.515 0.00 0.00 -0.028 A ATOM 20 C LIG 1 -3.693 -1.179 0.777 0.00 0.00 +0.064 A ATOM 21 C LIG 1 -4.325 -0.807 -0.432 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -5.427 -1.546 -0.892 0.00 0.00 +0.031 A ATOM 23 C LIG 1 -5.902 -2.628 -0.159 0.00 0.00 +0.042 A ATOM 24 CL LIG 1 -7.258 -3.517 -0.732 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -5.288 -2.997 1.035 0.00 0.00 +0.025 A BRANCH 19 27 ATOM 26 C LIG 1 -4.133 -1.974 4.012 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -3.551 -2.726 2.824 0.00 0.00 +0.033 C ENDBRANCH 19 27 BRANCH 20 28 ATOM 28 C LIG 1 -2.560 -0.431 1.259 0.00 0.00 +0.100 C ATOM 29 N LIG 1 -1.636 0.152 1.652 0.00 0.00 -0.191 NA ENDBRANCH 20 28 ENDBRANCH 13 21 ENDBRANCH 1 18 BRANCH 11 30 ATOM 30 C LIG 1 2.338 0.572 -0.497 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 N LIG 1 3.736 0.703 -0.169 0.00 0.00 -0.275 N ATOM 32 H LIG 1 4.326 -0.120 -0.195 0.00 0.00 +0.152 HD ATOM 33 C LIG 1 4.279 1.864 0.275 0.00 0.00 +0.401 C ATOM 34 O LIG 1 3.665 2.913 0.395 0.00 0.00 -0.226 OA BRANCH 33 35 ATOM 35 O LIG 1 5.585 1.661 0.554 0.00 0.00 -0.445 OA BRANCH 35 36 ATOM 36 C LIG 1 6.413 2.743 1.051 0.00 0.00 +0.107 C ATOM 37 C LIG 1 6.524 3.876 0.024 0.00 0.00 +0.055 C ATOM 38 C LIG 1 7.803 2.115 1.240 0.00 0.00 +0.055 C ATOM 39 C LIG 1 5.916 3.248 2.410 0.00 0.00 +0.055 C ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 30 31 ENDBRANCH 11 30 TORSDOF 8