REMARK Name = BDB061285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.826 -2.190 1.335 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -1.947 -2.022 0.499 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -2.532 -3.122 -0.133 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -3.692 -2.896 -1.005 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -4.151 -1.511 -1.171 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -3.504 -0.536 -0.519 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -4.249 -3.827 -1.576 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -2.012 -4.404 0.063 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -0.911 -4.592 0.889 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -2.433 -0.746 0.331 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -0.328 -3.490 1.518 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.906 0.879 -0.637 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.231 1.450 -1.879 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -4.593 2.798 -1.975 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -4.625 3.581 -0.827 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -4.299 3.041 0.410 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -3.938 1.695 0.505 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -4.970 4.899 -0.874 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -5.165 5.139 -1.794 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -2.539 -5.523 -0.524 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -3.308 -5.249 -1.074 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 0.742 -3.682 2.349 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 1.056 -4.597 2.257 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -0.165 -1.002 2.008 0.00 0.00 +0.127 C BRANCH 24 28 ATOM 25 C LIG 1 2.804 1.552 0.219 0.00 0.00 +0.100 C ATOM 26 C LIG 1 3.100 0.844 1.539 0.00 0.00 +0.030 C ATOM 27 C LIG 1 1.808 0.367 2.199 0.00 0.00 +0.085 C ATOM 28 N LIG 1 1.035 -0.505 1.301 0.00 0.00 -0.298 NA ATOM 29 C LIG 1 0.690 0.193 0.054 0.00 0.00 +0.085 C ATOM 30 C LIG 1 1.943 0.670 -0.682 0.00 0.00 +0.030 C BRANCH 25 31 ATOM 31 C LIG 1 4.080 1.978 -0.473 0.00 0.00 +0.310 C ATOM 32 O LIG 1 4.376 3.150 -0.674 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 4.842 0.908 -0.824 0.00 0.00 -0.465 OA BRANCH 33 35 ATOM 34 C LIG 1 7.171 1.448 -0.452 0.00 0.00 +0.048 C ATOM 35 C LIG 1 6.082 1.207 -1.480 0.00 0.00 +0.229 C ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 25 31 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 9