REMARK Name = BDB032777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.235 -1.030 1.365 0.00 0.00 +0.405 C ATOM 2 N LIG 1 0.963 -1.070 0.210 0.00 0.00 -0.251 N ATOM 3 H LIG 1 0.390 -1.160 -0.618 0.00 0.00 +0.158 HD ATOM 4 O LIG 1 0.640 -0.923 2.511 0.00 0.00 -0.226 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 2.358 -1.004 0.050 0.00 0.00 +0.043 A ATOM 6 C LIG 1 2.853 -1.060 -1.257 0.00 0.00 +0.069 A ATOM 7 C LIG 1 4.228 -0.994 -1.487 0.00 0.00 +0.132 A ATOM 8 C LIG 1 5.122 -0.919 -0.419 0.00 0.00 +0.091 A ATOM 9 C LIG 1 4.643 -0.855 0.885 0.00 0.00 +0.126 A ATOM 10 C LIG 1 3.260 -0.893 1.111 0.00 0.00 +0.069 A BRANCH 7 11 ATOM 11 O LIG 1 4.773 -1.065 -2.740 0.00 0.00 -0.434 OA BRANCH 11 12 ATOM 12 C LIG 1 4.265 -0.057 -3.605 0.00 0.00 +0.541 C ATOM 13 F LIG 1 3.103 -0.494 -4.154 0.00 0.00 -0.166 F ATOM 14 F LIG 1 5.147 0.082 -4.627 0.00 0.00 -0.166 F ENDBRANCH 11 12 ENDBRANCH 7 11 BRANCH 9 15 ATOM 15 O LIG 1 5.396 -0.755 2.020 0.00 0.00 -0.491 OA BRANCH 15 16 ATOM 16 C LIG 1 6.822 -0.698 1.916 0.00 0.00 +0.244 C BRANCH 16 17 ATOM 17 C LIG 1 7.325 0.746 1.704 0.00 0.00 +0.125 C BRANCH 17 18 ATOM 18 N LIG 1 7.778 1.052 0.329 0.00 0.00 -0.295 NA ATOM 19 C LIG 1 8.008 2.504 0.143 0.00 0.00 +0.112 C ATOM 20 C LIG 1 9.482 2.914 0.278 0.00 0.00 +0.175 C ATOM 21 O LIG 1 10.340 2.261 -0.668 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 9.829 0.997 -1.111 0.00 0.00 +0.175 C ATOM 23 C LIG 1 8.997 0.288 -0.031 0.00 0.00 +0.112 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 2 5 BRANCH 1 24 ATOM 24 O LIG 1 -1.078 -1.130 1.032 0.00 0.00 -0.445 OA BRANCH 24 25 ATOM 25 C LIG 1 -1.960 -1.090 2.156 0.00 0.00 +0.269 C BRANCH 25 33 ATOM 26 N LIG 1 -7.431 0.076 -0.178 0.00 0.00 -0.282 N ATOM 27 C LIG 1 -6.315 0.762 0.282 0.00 0.00 +0.248 C ATOM 28 O LIG 1 -6.133 1.964 0.310 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -5.359 -0.249 0.750 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -5.957 -1.501 0.626 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -5.267 -2.641 0.996 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -3.966 -2.493 1.496 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -3.369 -1.217 1.634 0.00 0.00 -0.010 A ATOM 34 C LIG 1 -4.081 -0.073 1.243 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -7.340 -1.355 0.085 0.00 0.00 +0.144 C BRANCH 26 42 ATOM 36 O LIG 1 -12.768 1.137 -0.839 0.00 0.00 -0.275 OA ATOM 37 C LIG 1 -11.544 1.111 -0.758 0.00 0.00 +0.219 C ATOM 38 N LIG 1 -10.913 1.219 0.455 0.00 0.00 -0.255 N ATOM 39 H LIG 1 -11.536 1.226 1.252 0.00 0.00 +0.158 HD ATOM 40 C LIG 1 -9.633 0.794 0.731 0.00 0.00 +0.240 C ATOM 41 O LIG 1 -9.322 0.460 1.872 0.00 0.00 -0.273 OA ATOM 42 C LIG 1 -8.682 0.762 -0.477 0.00 0.00 +0.163 C ATOM 43 C LIG 1 -9.418 0.149 -1.665 0.00 0.00 +0.041 C ATOM 44 C LIG 1 -10.657 0.977 -1.973 0.00 0.00 +0.098 C ENDBRANCH 26 42 ENDBRANCH 25 33 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11