REMARK Name = BDB017446 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.968 0.565 0.406 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.861 0.684 -0.992 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.587 0.747 -1.569 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.410 0.700 -0.831 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.364 0.786 -1.804 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.861 0.925 -3.042 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.513 0.610 0.570 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.189 0.861 -2.871 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.781 0.914 -3.692 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.784 0.544 1.162 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 4.997 -2.395 -0.172 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 6.048 -1.785 -0.073 0.00 0.00 +0.228 C ATOM 13 C LIG 1 6.312 -0.596 0.823 0.00 0.00 +0.081 C ATOM 14 C LIG 1 5.324 0.527 1.072 0.00 0.00 +0.040 C ATOM 15 C LIG 1 5.631 -0.486 2.157 0.00 0.00 +0.031 C ATOM 16 C LIG 1 7.773 -0.307 0.624 0.00 0.00 -0.011 A ATOM 17 C LIG 1 8.265 -1.218 -0.324 0.00 0.00 +0.038 A ATOM 18 C LIG 1 9.577 -1.239 -0.748 0.00 0.00 +0.023 A ATOM 19 C LIG 1 10.440 -0.293 -0.193 0.00 0.00 +0.002 A ATOM 20 C LIG 1 9.975 0.631 0.760 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.637 0.627 1.173 0.00 0.00 +0.006 A ATOM 22 N LIG 1 7.235 -2.068 -0.729 0.00 0.00 -0.284 N ATOM 23 H LIG 1 7.327 -2.838 -1.373 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 -1.051 0.774 -1.575 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -1.698 0.107 -0.604 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 -3.156 0.120 -0.431 0.00 0.00 -0.025 A ATOM 27 C LIG 1 -4.042 0.081 -1.508 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -5.429 0.066 -1.295 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -5.987 0.073 -0.007 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -5.076 0.100 1.060 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -3.688 0.116 0.859 0.00 0.00 +0.010 A BRANCH 29 32 ATOM 32 N LIG 1 -7.356 0.066 0.206 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -8.312 0.352 -0.875 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -9.669 0.809 -0.291 0.00 0.00 +0.100 C ATOM 35 N LIG 1 -10.318 -0.142 0.633 0.00 0.00 -0.313 NA ATOM 36 H LIG 1 -10.768 0.396 1.374 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 -9.335 -1.064 1.227 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -7.921 -0.478 1.453 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 4