REMARK Name = BDB043355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.517 0.190 0.920 0.00 0.00 +0.242 C ATOM 2 N LIG 1 -1.394 -0.475 0.088 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -1.132 -1.371 -0.308 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.759 1.291 1.402 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 0.805 -0.569 1.175 0.00 0.00 +0.202 C ATOM 6 C LIG 1 0.593 -1.520 2.346 0.00 0.00 +0.048 C BRANCH 5 7 ATOM 7 O LIG 1 1.940 0.234 1.487 0.00 0.00 -0.355 OA BRANCH 7 8 ATOM 8 C LIG 1 2.326 1.129 0.433 0.00 0.00 +0.209 C BRANCH 8 11 ATOM 9 N LIG 1 3.577 -0.685 -0.651 0.00 0.00 -0.313 N ATOM 10 H LIG 1 3.869 -0.883 0.301 0.00 0.00 +0.149 HD ATOM 11 C LIG 1 2.794 0.430 -0.858 0.00 0.00 +0.242 C ATOM 12 O LIG 1 2.473 0.834 -1.974 0.00 0.00 -0.273 OA BRANCH 9 14 ATOM 13 C LIG 1 3.114 -2.441 -2.295 0.00 0.00 +0.024 C ATOM 14 C LIG 1 4.132 -1.463 -1.734 0.00 0.00 +0.101 C ENDBRANCH 9 14 ENDBRANCH 8 11 BRANCH 8 15 ATOM 15 C LIG 1 3.402 2.102 0.951 0.00 0.00 +0.076 C BRANCH 15 16 ATOM 16 C LIG 1 4.716 1.472 1.356 0.00 0.00 -0.044 A ATOM 17 C LIG 1 5.832 1.549 0.510 0.00 0.00 +0.004 A ATOM 18 C LIG 1 7.035 0.944 0.870 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.137 0.258 2.079 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.037 0.179 2.928 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.832 0.785 2.570 0.00 0.00 +0.004 A ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 7 8 ENDBRANCH 5 7 ENDBRANCH 1 5 BRANCH 2 22 ATOM 22 C LIG 1 -2.631 0.123 -0.413 0.00 0.00 +0.104 C BRANCH 22 23 ATOM 23 C LIG 1 -3.741 -0.956 -0.550 0.00 0.00 +0.163 C BRANCH 23 24 ATOM 24 O LIG 1 -3.233 -2.117 -1.224 0.00 0.00 -0.387 OA ATOM 25 H LIG 1 -3.140 -1.883 -2.165 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.449 -1.357 0.769 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 O LIG 1 -5.561 -2.200 0.442 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -5.205 -2.889 -0.151 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -3.629 -1.997 1.903 0.00 0.00 +0.037 C BRANCH 29 30 ATOM 30 C LIG 1 -3.599 -3.535 2.041 0.00 0.00 -0.015 C ATOM 31 C LIG 1 -2.887 -4.246 0.894 0.00 0.00 +0.007 C ATOM 32 C LIG 1 -2.918 -3.917 3.364 0.00 0.00 +0.007 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 23 26 ENDBRANCH 22 23 BRANCH 22 33 ATOM 33 C LIG 1 -2.360 0.759 -1.802 0.00 0.00 +0.028 C BRANCH 33 34 ATOM 34 C LIG 1 -1.560 2.081 -1.783 0.00 0.00 -0.009 C ATOM 35 C LIG 1 -2.324 3.187 -1.023 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -1.989 4.583 -1.538 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -2.378 4.745 -3.008 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -2.235 3.456 -3.821 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -1.194 2.516 -3.220 0.00 0.00 +0.003 C ENDBRANCH 33 34 ENDBRANCH 22 33 ENDBRANCH 2 22 TORSDOF 16