REMARK Name = BDB016684 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.595 0.316 -2.343 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.394 -1.042 -2.030 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.218 -1.412 -1.366 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.223 -0.510 -1.016 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.776 -1.294 -0.353 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.426 -2.592 -0.327 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.395 0.840 -1.374 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.771 -2.627 -0.930 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.237 -3.522 -1.015 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.574 1.229 -2.029 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.295 -0.619 1.300 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.785 0.076 0.197 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.483 0.040 -1.004 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.226 0.632 -2.362 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.868 0.766 -3.024 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.422 0.203 -3.181 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.229 -0.558 -2.355 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.099 -0.963 -2.664 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.613 0.486 -4.352 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.613 1.992 -2.531 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.695 -0.665 -1.069 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.237 -1.340 0.002 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.518 -1.311 1.198 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.369 -0.207 2.632 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.703 -0.695 2.533 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -2.038 -0.850 0.241 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -2.129 0.352 0.944 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -3.350 0.759 1.500 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -4.519 -0.013 1.383 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -4.403 -1.226 0.692 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -3.186 -1.640 0.130 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -5.710 0.437 1.959 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -6.849 -0.474 2.172 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -7.941 -0.244 1.106 0.00 0.00 +0.100 C ATOM 35 N LIG 1 -8.462 1.140 1.026 0.00 0.00 -0.313 NA ATOM 36 H LIG 1 -8.469 1.412 0.043 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 -7.604 2.078 1.775 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -6.085 1.830 1.619 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4