REMARK Name = BDB045275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.207 -2.908 -2.161 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -1.231 -3.272 -1.276 0.00 0.00 -0.295 N ATOM 3 O LIG 1 0.340 -3.672 -2.951 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 4 C LIG 1 1.493 0.292 -1.171 0.00 0.00 +0.163 A ATOM 5 C LIG 1 1.118 1.157 -2.215 0.00 0.00 +0.162 A ATOM 6 C LIG 1 0.336 0.653 -3.258 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -0.088 -0.680 -3.241 0.00 0.00 +0.017 A ATOM 8 C LIG 1 0.263 -1.509 -2.172 0.00 0.00 +0.041 A ATOM 9 C LIG 1 1.074 -1.036 -1.144 0.00 0.00 +0.062 A BRANCH 5 10 ATOM 10 O LIG 1 1.565 2.449 -2.118 0.00 0.00 -0.491 OA ATOM 11 C LIG 1 1.216 3.341 -3.167 0.00 0.00 +0.277 C ENDBRANCH 5 10 BRANCH 4 12 ATOM 12 O LIG 1 2.221 0.750 -0.100 0.00 0.00 -0.488 OA BRANCH 12 13 ATOM 13 C LIG 1 3.623 0.715 -0.401 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 4.344 1.580 0.624 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 5.855 1.513 0.441 0.00 0.00 +0.163 C BRANCH 15 17 ATOM 16 C LIG 1 6.568 2.119 2.634 0.00 0.00 +0.193 C ATOM 17 O LIG 1 6.538 2.465 1.255 0.00 0.00 -0.383 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 8 BRANCH 2 18 ATOM 18 C LIG 1 -1.690 -4.673 -1.234 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -2.401 -5.083 -2.524 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -0.575 -5.655 -0.868 0.00 0.00 +0.028 C ENDBRANCH 2 18 BRANCH 2 21 ATOM 21 C LIG 1 -2.019 -2.285 -0.514 0.00 0.00 +0.114 C BRANCH 21 22 ATOM 22 C LIG 1 -1.546 -2.116 0.932 0.00 0.00 +0.038 C ATOM 23 C LIG 1 -2.102 -0.855 1.600 0.00 0.00 +0.073 C ATOM 24 C LIG 1 -1.853 -1.155 3.088 0.00 0.00 +0.100 C ATOM 25 N LIG 1 -1.849 -2.619 3.229 0.00 0.00 -0.314 NA ATOM 26 H LIG 1 -2.592 -2.925 3.856 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -2.042 -3.191 1.891 0.00 0.00 +0.087 C BRANCH 23 28 ATOM 28 N LIG 1 -1.498 0.360 1.058 0.00 0.00 -0.311 NA ATOM 29 H LIG 1 -0.478 0.321 1.140 0.00 0.00 +0.122 HD BRANCH 28 30 ATOM 30 C LIG 1 -1.989 1.582 1.693 0.00 0.00 +0.084 C BRANCH 30 31 ATOM 31 C LIG 1 -1.348 2.818 1.034 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -1.822 4.117 1.688 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -3.151 4.441 1.012 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -3.122 3.733 -0.342 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -1.771 3.029 -0.422 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 13