REMARK Name = BDB057959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.472 3.191 0.071 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.542 2.472 0.618 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -2.797 2.488 -0.006 0.00 0.00 -0.007 A ATOM 4 C LIG 1 -2.968 3.280 -1.154 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.910 4.035 -1.668 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.658 3.992 -1.056 0.00 0.00 +0.013 A ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 2.723 -0.769 1.223 0.00 0.00 -0.311 N ATOM 8 C LIG 1 2.102 -0.393 -0.071 0.00 0.00 +0.125 C ATOM 9 C LIG 1 0.989 0.645 0.135 0.00 0.00 +0.127 C ATOM 10 N LIG 1 1.469 1.864 0.800 0.00 0.00 -0.295 N ATOM 11 C LIG 1 0.874 3.115 0.685 0.00 0.00 +0.247 C ATOM 12 O LIG 1 1.401 4.158 1.059 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.746 1.742 1.515 0.00 0.00 +0.127 C ATOM 14 C LIG 1 2.892 0.361 2.177 0.00 0.00 +0.125 C BRANCH 7 16 ATOM 15 C LIG 1 3.883 -2.866 0.751 0.00 0.00 +0.092 A ATOM 16 C LIG 1 3.917 -1.483 0.985 0.00 0.00 +0.139 A ATOM 17 N LIG 1 5.085 -0.795 0.960 0.00 0.00 -0.239 NA ATOM 18 C LIG 1 6.227 -1.475 0.711 0.00 0.00 +0.113 A ATOM 19 C LIG 1 6.277 -2.835 0.473 0.00 0.00 +0.021 A ATOM 20 C LIG 1 5.081 -3.543 0.494 0.00 0.00 +0.024 A BRANCH 15 22 ATOM 21 N LIG 1 1.667 -4.214 0.778 0.00 0.00 -0.191 NA ATOM 22 C LIG 1 2.654 -3.600 0.784 0.00 0.00 +0.103 C ENDBRANCH 15 22 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 3 23 ATOM 23 C LIG 1 -3.946 1.654 0.535 0.00 0.00 +0.247 C ATOM 24 F LIG 1 -3.712 1.188 1.800 0.00 0.00 -0.234 F BRANCH 23 25 ATOM 25 C LIG 1 -4.310 0.517 -0.430 0.00 0.00 +0.107 A ATOM 26 C LIG 1 -3.534 -0.754 -0.426 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -3.847 -1.692 -1.410 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -3.141 -2.900 -1.503 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -2.118 -3.177 -0.599 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -1.812 -2.256 0.400 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -4.943 -1.412 -2.351 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -5.252 -2.205 -3.233 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -5.597 -0.218 -2.177 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -6.356 -0.010 -2.819 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -2.518 -1.051 0.490 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -5.285 0.742 -1.267 0.00 0.00 -0.172 NA ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 5