REMARK Name = BDB040799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.186 2.125 0.758 0.00 0.00 +0.401 C ATOM 2 N LIG 1 1.049 2.515 0.337 0.00 0.00 -0.275 N ATOM 3 H LIG 1 1.188 2.481 -0.664 0.00 0.00 +0.152 HD ATOM 4 O LIG 1 -0.508 1.959 1.924 0.00 0.00 -0.226 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 2.191 2.667 1.266 0.00 0.00 +0.111 C ATOM 6 C LIG 1 3.514 3.090 0.599 0.00 0.00 +0.129 C ATOM 7 N LIG 1 3.842 1.692 0.524 0.00 0.00 -0.326 N ATOM 8 C LIG 1 2.933 1.355 1.589 0.00 0.00 +0.129 C BRANCH 7 9 ATOM 9 C LIG 1 5.112 1.129 0.286 0.00 0.00 +0.035 A ATOM 10 C LIG 1 6.092 1.835 -0.421 0.00 0.00 +0.062 A ATOM 11 C LIG 1 7.343 1.266 -0.663 0.00 0.00 +0.132 A ATOM 12 F LIG 1 8.247 1.979 -1.351 0.00 0.00 -0.205 F ATOM 13 C LIG 1 7.663 -0.016 -0.222 0.00 0.00 +0.035 A ATOM 14 C LIG 1 6.675 -0.718 0.469 0.00 0.00 +0.132 A ATOM 15 F LIG 1 6.924 -1.963 0.900 0.00 0.00 -0.205 F ATOM 16 C LIG 1 5.420 -0.165 0.720 0.00 0.00 +0.062 A BRANCH 13 17 ATOM 17 C LIG 1 9.029 -0.609 -0.488 0.00 0.00 +0.111 C ATOM 18 C LIG 1 9.743 -1.023 0.797 0.00 0.00 +0.227 C ATOM 19 O LIG 1 9.635 -0.413 1.859 0.00 0.00 -0.275 OA ATOM 20 N LIG 1 10.604 -2.091 0.702 0.00 0.00 -0.256 N ATOM 21 H LIG 1 11.090 -2.340 1.552 0.00 0.00 +0.157 HD ATOM 22 C LIG 1 10.991 -2.766 -0.428 0.00 0.00 +0.219 C ATOM 23 O LIG 1 11.878 -3.614 -0.389 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 10.328 -2.350 -1.718 0.00 0.00 +0.097 C ATOM 25 C LIG 1 8.940 -1.788 -1.464 0.00 0.00 +0.027 C ENDBRANCH 13 17 ENDBRANCH 7 9 ENDBRANCH 2 5 BRANCH 1 26 ATOM 26 O LIG 1 -0.987 1.937 -0.317 0.00 0.00 -0.444 OA BRANCH 26 29 ATOM 27 C LIG 1 -4.139 0.988 0.244 0.00 0.00 +0.058 C ATOM 28 C LIG 1 -2.821 0.280 0.708 0.00 0.00 +0.064 C ATOM 29 C LIG 1 -2.309 1.547 -0.028 0.00 0.00 +0.118 C ATOM 30 C LIG 1 -3.395 1.240 -1.103 0.00 0.00 +0.064 C ATOM 31 C LIG 1 -3.416 2.321 0.712 0.00 0.00 +0.064 C BRANCH 27 33 ATOM 32 N LIG 1 -6.207 -0.364 -0.151 0.00 0.00 -0.274 N ATOM 33 C LIG 1 -5.567 0.667 0.560 0.00 0.00 +0.226 C ATOM 34 O LIG 1 -6.153 1.354 1.412 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 -5.494 -1.205 -1.105 0.00 0.00 +0.138 C BRANCH 32 40 ATOM 36 C LIG 1 -10.845 -1.892 -1.474 0.00 0.00 +0.044 C ATOM 37 C LIG 1 -9.786 -1.546 -0.459 0.00 0.00 -0.046 A ATOM 38 C LIG 1 -8.523 -1.021 -0.837 0.00 0.00 -0.026 A ATOM 39 C LIG 1 -8.257 -0.723 -2.293 0.00 0.00 +0.046 C ATOM 40 C LIG 1 -7.556 -0.748 0.164 0.00 0.00 +0.039 A ATOM 41 C LIG 1 -7.909 -0.907 1.514 0.00 0.00 +0.024 A ATOM 42 C LIG 1 -9.168 -1.376 1.880 0.00 0.00 +0.002 A ATOM 43 C LIG 1 -10.095 -1.704 0.900 0.00 0.00 +0.004 A ENDBRANCH 32 40 ENDBRANCH 27 33 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 7