REMARK Name = BDB058516 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.444 -0.941 -0.524 0.00 0.00 +0.028 A ATOM 2 C LIG 1 0.048 0.347 -0.681 0.00 0.00 -0.002 A ATOM 3 C LIG 1 1.428 0.342 -1.073 0.00 0.00 +0.029 A ATOM 4 C LIG 1 1.958 -0.930 -1.186 0.00 0.00 +0.075 A ATOM 5 S LIG 1 0.768 -2.114 -0.851 0.00 0.00 -0.083 S ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -4.419 -2.277 0.509 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -3.301 -2.627 1.290 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -2.010 -2.201 0.956 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -1.792 -1.411 -0.175 0.00 0.00 -0.011 A ATOM 10 C LIG 1 -2.892 -1.056 -0.961 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -4.184 -1.482 -0.624 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 -5.852 -4.307 0.926 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -5.823 -2.764 0.907 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -6.177 -2.231 2.313 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -6.941 -2.298 -0.052 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -0.762 1.544 -0.478 0.00 0.00 -0.017 A ATOM 17 C LIG 1 -0.917 2.465 -1.519 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -1.687 3.619 -1.333 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -2.307 3.875 -0.102 0.00 0.00 -0.015 A ATOM 20 C LIG 1 -2.145 2.950 0.938 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -1.376 1.796 0.753 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 -3.109 5.076 0.073 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -3.254 5.754 1.267 0.00 0.00 +0.203 A ATOM 24 O LIG 1 -4.053 6.842 1.113 0.00 0.00 -0.470 OA ATOM 25 C LIG 1 -4.426 6.874 -0.191 0.00 0.00 +0.195 A ATOM 26 C LIG 1 -3.870 5.818 -0.874 0.00 0.00 +0.049 A ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 27 ATOM 27 C LIG 1 3.305 -1.364 -1.538 0.00 0.00 +0.251 C ATOM 28 N LIG 1 4.270 -0.371 -1.484 0.00 0.00 -0.311 N ATOM 29 H LIG 1 4.033 0.519 -1.073 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 3.602 -2.516 -1.848 0.00 0.00 -0.270 OA BRANCH 28 31 ATOM 31 C LIG 1 5.672 -0.659 -1.715 0.00 0.00 +0.108 C BRANCH 31 32 ATOM 32 C LIG 1 6.367 -1.244 -0.474 0.00 0.00 +0.009 C ATOM 33 C LIG 1 6.302 -0.264 0.713 0.00 0.00 +0.020 C ATOM 34 C LIG 1 7.453 -0.491 1.686 0.00 0.00 +0.081 C ATOM 35 N LIG 1 8.766 -0.293 1.074 0.00 0.00 -0.316 NA ATOM 36 H LIG 1 9.105 0.650 1.256 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 8.808 -0.556 -0.364 0.00 0.00 +0.081 C ATOM 38 C LIG 1 7.822 -1.639 -0.792 0.00 0.00 +0.020 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 4 27 TORSDOF 7