REMARK Name = BDB060728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.277 -1.733 -0.132 0.00 0.00 +0.097 A ATOM 2 C LIG 1 0.737 -0.402 -0.032 0.00 0.00 +0.101 A ATOM 3 N LIG 1 2.071 -0.106 -0.048 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 2.918 -1.151 -0.131 0.00 0.00 +0.234 A ATOM 5 C LIG 1 2.469 -2.457 -0.200 0.00 0.00 +0.178 A ATOM 6 N LIG 1 1.155 -2.778 -0.200 0.00 0.00 -0.248 NA ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -3.886 -2.944 -0.277 0.00 0.00 -0.042 A ATOM 8 C LIG 1 -2.975 -3.529 0.621 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -1.631 -3.138 0.658 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -1.139 -2.139 -0.193 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.039 -1.571 -1.105 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -3.386 -1.960 -1.142 0.00 0.00 +0.005 A BRANCH 7 14 ATOM 13 C LIG 1 -5.436 -4.900 -0.623 0.00 0.00 +0.015 C ATOM 14 C LIG 1 -5.357 -3.395 -0.289 0.00 0.00 -0.013 C ATOM 15 C LIG 1 -6.230 -2.650 -1.324 0.00 0.00 +0.015 C ATOM 16 C LIG 1 -5.987 -3.149 1.099 0.00 0.00 +0.015 C ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 2 17 ATOM 17 C LIG 1 -0.127 0.783 0.120 0.00 0.00 +0.003 A ATOM 18 C LIG 1 0.024 1.888 -0.728 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -0.793 3.018 -0.601 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -1.792 3.097 0.385 0.00 0.00 -0.042 A ATOM 21 C LIG 1 -1.927 1.997 1.245 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -1.107 0.866 1.119 0.00 0.00 +0.010 A BRANCH 20 23 ATOM 23 C LIG 1 -2.676 4.351 0.494 0.00 0.00 -0.013 C ATOM 24 C LIG 1 -3.731 4.277 1.621 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -1.792 5.586 0.775 0.00 0.00 +0.015 C ATOM 26 C LIG 1 -3.440 4.564 -0.831 0.00 0.00 +0.015 C ENDBRANCH 20 23 ENDBRANCH 2 17 BRANCH 4 27 ATOM 27 O LIG 1 4.281 -0.945 -0.144 0.00 0.00 -0.475 OA BRANCH 27 28 ATOM 28 C LIG 1 4.644 0.435 -0.045 0.00 0.00 +0.234 C BRANCH 28 29 ATOM 29 C LIG 1 6.173 0.570 -0.060 0.00 0.00 +0.029 C ATOM 30 C LIG 1 6.822 -0.090 1.175 0.00 0.00 +0.022 C ATOM 31 C LIG 1 8.181 -0.725 0.868 0.00 0.00 +0.081 C ATOM 32 N LIG 1 8.962 0.097 -0.052 0.00 0.00 -0.316 NA ATOM 33 H LIG 1 9.068 1.028 0.352 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 8.310 0.218 -1.361 0.00 0.00 +0.081 C ATOM 35 C LIG 1 6.791 0.005 -1.344 0.00 0.00 +0.022 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 7