REMARK Name = BDB048463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.015 -1.110 -1.525 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -1.342 -1.051 -0.990 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -2.171 -0.891 -2.095 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -3.563 -0.792 -2.007 0.00 0.00 +0.029 A ATOM 5 C LIG 1 -4.124 -0.851 -0.728 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -3.321 -1.005 0.401 0.00 0.00 +0.049 A ATOM 7 N LIG 1 -1.328 -0.854 -3.171 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -1.579 -0.746 -4.147 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.929 -1.094 0.292 0.00 0.00 +0.036 A ATOM 10 N LIG 1 -0.029 -0.963 -2.861 0.00 0.00 -0.173 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.610 -0.707 -0.539 0.00 0.00 +0.034 A ATOM 12 C LIG 1 2.384 -0.557 -1.202 0.00 0.00 +0.033 A ATOM 13 C LIG 1 1.250 -1.288 -0.811 0.00 0.00 +0.004 A ATOM 14 C LIG 1 1.361 -2.193 0.249 0.00 0.00 +0.010 A ATOM 15 C LIG 1 2.577 -2.347 0.916 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.695 -1.605 0.525 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 5.984 0.104 -0.512 0.00 0.00 +0.218 C ATOM 18 N LIG 1 4.691 0.070 -1.006 0.00 0.00 -0.285 N ATOM 19 H LIG 1 4.484 0.684 -1.784 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 6.427 -0.547 0.426 0.00 0.00 -0.275 OA BRANCH 17 21 ATOM 21 C LIG 1 6.863 1.050 -1.316 0.00 0.00 +0.107 C BRANCH 21 22 ATOM 22 C LIG 1 8.229 1.250 -0.670 0.00 0.00 +0.129 C BRANCH 22 24 ATOM 23 O LIG 1 7.195 2.820 0.884 0.00 0.00 -0.251 OA ATOM 24 C LIG 1 8.118 2.084 0.575 0.00 0.00 +0.305 C BRANCH 24 25 ATOM 25 O LIG 1 9.216 1.995 1.349 0.00 0.00 -0.481 OA ATOM 26 H LIG 1 9.007 2.555 2.125 0.00 0.00 +0.295 HD ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 N LIG 1 -3.925 -1.013 1.690 0.00 0.00 -0.216 N ATOM 28 H LIG 1 -3.603 -1.715 2.355 0.00 0.00 +0.174 HD BRANCH 27 29 ATOM 29 S LIG 1 -4.143 0.474 2.470 0.00 0.00 +0.072 S ATOM 30 O LIG 1 -4.457 0.156 3.847 0.00 0.00 -0.150 OA ATOM 31 O LIG 1 -3.045 1.356 2.141 0.00 0.00 -0.150 OA BRANCH 29 32 ATOM 32 C LIG 1 -5.627 1.094 1.720 0.00 0.00 +0.108 A ATOM 33 C LIG 1 -5.554 2.132 0.787 0.00 0.00 +0.029 A ATOM 34 C LIG 1 -6.728 2.619 0.210 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -7.962 2.076 0.573 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.030 1.048 1.516 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -6.861 0.555 2.097 0.00 0.00 +0.029 A ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 9