REMARK Name = BDB021403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.371 0.610 -1.580 0.00 0.00 +0.017 C ATOM 2 C LIG 1 0.224 1.200 -0.164 0.00 0.00 +0.007 C ATOM 3 C LIG 1 0.910 0.271 0.833 0.00 0.00 -0.027 A ATOM 4 C LIG 1 0.165 -0.751 1.461 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.778 -1.618 2.381 0.00 0.00 +0.014 A ATOM 6 C LIG 1 2.135 -1.492 2.676 0.00 0.00 +0.014 A ATOM 7 C LIG 1 2.891 -0.514 2.029 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -1.280 -0.963 1.149 0.00 0.00 +0.247 C ATOM 9 O LIG 1 -1.841 -1.975 1.556 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -1.908 0.023 0.393 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.283 0.370 1.125 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -1.269 1.316 0.218 0.00 0.00 +0.119 C ATOM 13 C LIG 1 0.806 2.629 -0.162 0.00 0.00 +0.017 C ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 4.336 -0.400 2.344 0.00 0.00 +0.247 C ATOM 15 N LIG 1 5.219 -0.220 1.283 0.00 0.00 -0.291 N ATOM 16 C LIG 1 6.652 -0.173 1.544 0.00 0.00 +0.079 C ATOM 17 C LIG 1 7.262 0.883 0.606 0.00 0.00 +0.054 C ATOM 18 C LIG 1 6.933 0.635 -0.875 0.00 0.00 +0.118 C ATOM 19 C LIG 1 5.525 0.060 -1.103 0.00 0.00 +0.054 C ATOM 20 C LIG 1 7.097 -1.600 1.200 0.00 0.00 +0.024 C ATOM 21 C LIG 1 6.061 -2.091 0.174 0.00 0.00 +0.024 C ATOM 22 C LIG 1 5.089 -0.913 0.005 0.00 0.00 +0.079 C ATOM 23 O LIG 1 4.680 -0.437 3.521 0.00 0.00 -0.270 OA BRANCH 18 24 ATOM 24 O LIG 1 7.910 -0.250 -1.424 0.00 0.00 -0.392 OA ATOM 25 H LIG 1 7.793 -0.258 -2.390 0.00 0.00 +0.210 HD ENDBRANCH 18 24 ENDBRANCH 7 14 BRANCH 10 26 ATOM 26 C LIG 1 -3.339 -0.107 0.072 0.00 0.00 +0.141 C BRANCH 26 27 ATOM 27 C LIG 1 -3.599 -0.191 -1.446 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 C LIG 1 -5.090 -0.150 -1.901 0.00 0.00 +0.088 C ATOM 29 N LIG 1 -5.841 -1.405 -1.721 0.00 0.00 -0.307 NA ATOM 30 H LIG 1 -5.227 -2.186 -1.962 0.00 0.00 +0.123 HD ATOM 31 C LIG 1 -6.314 -1.633 -0.353 0.00 0.00 +0.117 C ATOM 32 C LIG 1 -6.809 -0.409 0.378 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -6.569 0.887 -0.104 0.00 0.00 -0.041 A ATOM 34 C LIG 1 -7.028 1.998 0.619 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -7.698 1.824 1.829 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.920 0.542 2.322 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.477 -0.568 1.602 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -5.872 1.085 -1.422 0.00 0.00 +0.056 C ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 O LIG 1 -2.996 -1.389 -1.974 0.00 0.00 -0.389 OA ATOM 40 H LIG 1 -3.145 -1.395 -2.934 0.00 0.00 +0.210 HD ENDBRANCH 27 39 ENDBRANCH 26 27 ENDBRANCH 10 26 TORSDOF 6