REMARK Name = BDB052516 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.765 -1.075 -0.990 0.00 0.00 -0.283 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.124 -1.383 -0.490 0.00 0.00 +0.181 C BRANCH 2 5 ATOM 3 N LIG 1 -3.803 -0.795 1.151 0.00 0.00 -0.284 N ATOM 4 H LIG 1 -4.179 -1.665 0.801 0.00 0.00 +0.155 HD ATOM 5 C LIG 1 -2.630 -0.353 0.546 0.00 0.00 +0.231 C ATOM 6 O LIG 1 -2.055 0.706 0.777 0.00 0.00 -0.274 OA BRANCH 3 9 ATOM 7 C LIG 1 -6.253 -2.073 2.042 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -5.752 -0.772 2.610 0.00 0.00 -0.029 A ATOM 9 C LIG 1 -4.559 -0.159 2.165 0.00 0.00 +0.036 A ATOM 10 C LIG 1 -4.165 1.052 2.748 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -4.932 1.652 3.750 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -6.105 1.050 4.186 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -6.513 -0.155 3.620 0.00 0.00 +0.005 A ENDBRANCH 3 9 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 C LIG 1 -0.449 -1.884 -2.182 0.00 0.00 +0.159 C BRANCH 14 15 ATOM 15 C LIG 1 -1.268 -1.491 -3.366 0.00 0.00 +0.119 A ATOM 16 O LIG 1 -2.151 -2.419 -3.839 0.00 0.00 -0.467 OA ATOM 17 C LIG 1 -2.780 -1.857 -4.904 0.00 0.00 +0.195 A ATOM 18 C LIG 1 -2.317 -0.580 -5.119 0.00 0.00 +0.041 A ATOM 19 C LIG 1 -1.339 -0.341 -4.125 0.00 0.00 +0.046 A ENDBRANCH 14 15 ENDBRANCH 1 14 BRANCH 1 20 ATOM 20 C LIG 1 0.243 -1.296 0.065 0.00 0.00 +0.120 C BRANCH 20 21 ATOM 21 C LIG 1 1.565 -0.622 -0.240 0.00 0.00 -0.033 A ATOM 22 C LIG 1 2.751 -1.365 -0.326 0.00 0.00 +0.008 A ATOM 23 C LIG 1 3.962 -0.729 -0.602 0.00 0.00 +0.046 A ATOM 24 C LIG 1 4.003 0.655 -0.763 0.00 0.00 +0.122 A ATOM 25 C LIG 1 2.828 1.400 -0.720 0.00 0.00 +0.046 A ATOM 26 C LIG 1 1.616 0.766 -0.442 0.00 0.00 +0.008 A BRANCH 24 27 ATOM 27 O LIG 1 5.190 1.246 -1.083 0.00 0.00 -0.475 OA BRANCH 27 28 ATOM 28 C LIG 1 5.936 1.846 0.003 0.00 0.00 +0.200 C ATOM 29 C LIG 1 5.311 3.178 0.435 0.00 0.00 +0.067 C ATOM 30 C LIG 1 6.139 0.902 1.198 0.00 0.00 +0.067 C BRANCH 28 31 ATOM 31 C LIG 1 7.322 2.139 -0.601 0.00 0.00 +0.348 C ATOM 32 O LIG 1 7.722 1.873 -1.724 0.00 0.00 -0.247 OA BRANCH 31 33 ATOM 33 O LIG 1 8.167 2.759 0.255 0.00 0.00 -0.478 OA ATOM 34 H LIG 1 8.984 2.869 -0.277 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 11