REMARK Name = BDB013427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.766 1.793 1.562 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.615 2.117 2.922 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.758 2.024 3.896 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.647 2.513 3.389 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.748 2.591 2.530 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.624 2.269 1.177 0.00 0.00 -0.039 A ATOM 7 C LIG 1 0.352 1.885 0.710 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.088 1.325 0.981 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -2.121 -1.749 -0.404 0.00 0.00 +0.191 C ATOM 10 O LIG 1 -2.763 -0.774 -1.229 0.00 0.00 -0.470 OA ATOM 11 C LIG 1 -4.105 -0.604 -1.111 0.00 0.00 +0.242 A ATOM 12 C LIG 1 -4.824 -0.404 0.050 0.00 0.00 +0.167 A ATOM 13 C LIG 1 -6.208 -0.196 -0.039 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -6.828 -0.194 -1.282 0.00 0.00 +0.022 A ATOM 15 C LIG 1 -6.034 -0.388 -2.393 0.00 0.00 +0.115 A ATOM 16 S LIG 1 -4.111 -0.338 1.649 0.00 0.00 +0.066 S ATOM 17 O LIG 1 -4.690 0.811 2.316 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -4.247 -1.662 2.218 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.475 -0.031 1.441 0.00 0.00 -0.169 NA ATOM 20 N LIG 1 -4.699 -0.581 -2.331 0.00 0.00 -0.220 NA ATOM 21 C LIG 1 -1.646 -1.149 0.932 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -2.944 -3.816 -1.646 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -2.824 -3.118 -0.296 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.783 2.310 0.176 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 3.077 0.943 -0.471 0.00 0.00 -0.034 A ATOM 26 C LIG 1 3.270 0.808 -1.876 0.00 0.00 -0.017 A ATOM 27 C LIG 1 3.171 1.978 -2.815 0.00 0.00 +0.046 C ATOM 28 C LIG 1 3.548 -0.486 -2.373 0.00 0.00 +0.116 A ATOM 29 N LIG 1 3.771 -0.911 -3.660 0.00 0.00 -0.129 NA ATOM 30 N LIG 1 3.998 -2.218 -3.635 0.00 0.00 -0.065 NA ATOM 31 N LIG 1 3.910 -2.615 -2.355 0.00 0.00 -0.247 N ATOM 32 C LIG 1 4.118 -3.998 -2.016 0.00 0.00 +0.175 C ATOM 33 C LIG 1 3.632 -1.573 -1.512 0.00 0.00 +0.089 A ATOM 34 C LIG 1 3.455 -1.472 -0.135 0.00 0.00 +0.030 A ATOM 35 C LIG 1 3.176 -0.196 0.361 0.00 0.00 +0.007 A ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 C LIG 1 4.075 3.036 0.597 0.00 0.00 +0.133 C BRANCH 36 37 ATOM 37 C LIG 1 5.035 2.219 1.421 0.00 0.00 +0.306 C ATOM 38 O LIG 1 4.816 1.681 2.493 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 6.260 2.148 0.865 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 6.777 1.593 1.485 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 24 36 ENDBRANCH 6 24 TORSDOF 8