REMARK Name = BDB026945 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.093 -0.274 1.356 0.00 0.00 -0.290 OA ATOM 2 C LIG 1 -0.872 -0.898 0.312 0.00 0.00 +0.186 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 0.495 -1.028 -0.212 0.00 0.00 +0.044 A ATOM 4 C LIG 1 1.688 -0.432 0.324 0.00 0.00 +0.010 A ATOM 5 C LIG 1 2.755 -0.821 -0.479 0.00 0.00 +0.049 A ATOM 6 C LIG 1 4.080 -0.415 -0.244 0.00 0.00 +0.049 A ATOM 7 C LIG 1 4.356 0.420 0.849 0.00 0.00 +0.038 A ATOM 8 C LIG 1 3.288 0.817 1.666 0.00 0.00 +0.024 A ATOM 9 N LIG 1 2.248 -1.628 -1.468 0.00 0.00 -0.360 N ATOM 10 H LIG 1 2.805 -2.064 -2.190 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 1.967 0.405 1.420 0.00 0.00 +0.012 A ATOM 12 C LIG 1 0.891 -1.758 -1.321 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 N LIG 1 5.681 0.861 1.128 0.00 0.00 -0.271 N ATOM 14 C LIG 1 6.861 0.401 0.518 0.00 0.00 +0.220 C ATOM 15 O LIG 1 7.008 -0.412 -0.381 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 8.027 1.055 1.223 0.00 0.00 +0.098 C ATOM 17 C LIG 1 7.393 2.248 1.908 0.00 0.00 +0.029 C ATOM 18 C LIG 1 5.988 1.772 2.207 0.00 0.00 +0.114 C ENDBRANCH 7 13 ENDBRANCH 2 3 BRANCH 2 19 ATOM 19 C LIG 1 -2.041 -1.563 -0.469 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 -2.129 -3.059 -0.195 0.00 0.00 -0.023 A ATOM 21 C LIG 1 -2.402 -3.944 -1.252 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -2.492 -5.319 -1.026 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.323 -5.827 0.260 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.073 -4.962 1.322 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.984 -3.586 1.099 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 -3.342 -0.930 -0.120 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.358 -0.836 0.899 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.483 0.399 -0.725 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.805 1.043 -0.287 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.987 2.411 -0.902 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -5.681 2.559 -2.112 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.832 3.821 -2.689 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -5.287 4.940 -2.062 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -5.472 6.495 -2.775 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -4.591 4.807 -0.862 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -4.440 3.544 -0.284 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 2 19 TORSDOF 8