REMARK Name = BDB052824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.009 0.472 -0.151 0.00 0.00 -0.280 N ATOM 2 C LIG 1 -0.080 1.719 0.478 0.00 0.00 +0.058 A ATOM 3 C LIG 1 -1.375 1.841 0.990 0.00 0.00 +0.016 A ATOM 4 C LIG 1 -1.726 3.005 1.708 0.00 0.00 +0.011 A ATOM 5 C LIG 1 -0.795 4.033 1.870 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.470 3.925 1.310 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -2.109 0.686 0.594 0.00 0.00 +0.106 A ATOM 8 C LIG 1 0.843 2.780 0.600 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -1.232 -0.162 -0.069 0.00 0.00 +0.219 A ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.511 0.430 0.891 0.00 0.00 +0.252 C ATOM 11 N LIG 1 -4.396 0.338 -0.182 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -4.024 0.465 -1.595 0.00 0.00 +0.123 C ATOM 13 C LIG 1 -5.163 1.061 -2.443 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -6.444 0.359 -2.261 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 -7.170 0.845 -2.785 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 -6.803 0.358 -0.832 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.711 -0.255 0.060 0.00 0.00 +0.123 C ATOM 18 O LIG 1 -3.885 0.345 2.059 0.00 0.00 -0.270 OA ENDBRANCH 7 10 BRANCH 1 21 ATOM 19 C LIG 1 3.590 -0.438 -0.712 0.00 0.00 +0.122 A ATOM 20 C LIG 1 2.438 0.102 -0.135 0.00 0.00 +0.072 A ATOM 21 C LIG 1 1.186 -0.084 -0.745 0.00 0.00 +0.053 A ATOM 22 C LIG 1 1.094 -0.835 -1.924 0.00 0.00 +0.026 A ATOM 23 C LIG 1 2.245 -1.374 -2.498 0.00 0.00 +0.006 A ATOM 24 C LIG 1 3.485 -1.172 -1.895 0.00 0.00 +0.046 A BRANCH 19 25 ATOM 25 O LIG 1 4.862 -0.332 -0.219 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 5.040 0.428 0.975 0.00 0.00 +0.231 C BRANCH 26 27 ATOM 27 C LIG 1 6.524 0.449 1.324 0.00 0.00 +0.069 C BRANCH 27 28 ATOM 28 C LIG 1 7.356 1.128 0.238 0.00 0.00 +0.163 C BRANCH 28 30 ATOM 29 C LIG 1 9.495 0.126 0.512 0.00 0.00 +0.193 C ATOM 30 O LIG 1 8.710 1.301 0.661 0.00 0.00 -0.383 OA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 1 21 BRANCH 9 31 ATOM 31 O LIG 1 -1.391 -1.395 -0.570 0.00 0.00 -0.439 OA BRANCH 31 32 ATOM 32 C LIG 1 -2.118 -2.360 0.084 0.00 0.00 +0.130 A ATOM 33 C LIG 1 -2.860 -3.234 -0.713 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -3.606 -4.254 -0.123 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.597 -4.411 1.263 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.835 -3.554 2.057 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -2.086 -2.534 1.468 0.00 0.00 +0.046 A ENDBRANCH 31 32 ENDBRANCH 9 31 TORSDOF 9