REMARK Name = BDB036387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.430 1.218 -0.125 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.350 1.777 -1.423 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -1.373 1.611 -2.361 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -1.060 2.255 -3.606 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.160 2.885 -3.591 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.522 0.866 -1.988 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -2.653 0.311 -0.707 0.00 0.00 -0.039 A ATOM 8 S LIG 1 0.944 2.714 -2.091 0.00 0.00 -0.096 S ATOM 9 C LIG 1 -1.598 0.492 0.196 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 0.672 1.348 0.908 0.00 0.00 +0.145 C BRANCH 10 17 ATOM 11 C LIG 1 7.031 0.195 -0.625 0.00 0.00 +0.218 A ATOM 12 N LIG 1 5.928 -0.469 -1.023 0.00 0.00 -0.176 NA ATOM 13 C LIG 1 4.773 -0.254 -0.348 0.00 0.00 +0.245 A ATOM 14 O LIG 1 3.753 -0.983 -0.874 0.00 0.00 -0.470 OA ATOM 15 C LIG 1 2.958 -1.660 0.101 0.00 0.00 +0.191 C ATOM 16 C LIG 1 1.672 -0.849 0.303 0.00 0.00 +0.154 C ATOM 17 N LIG 1 1.919 0.607 0.560 0.00 0.00 -0.169 NA ATOM 18 S LIG 1 3.213 0.982 1.591 0.00 0.00 +0.066 S ATOM 19 O LIG 1 3.142 0.078 2.720 0.00 0.00 -0.153 OA ATOM 20 O LIG 1 3.203 2.416 1.799 0.00 0.00 -0.153 OA ATOM 21 C LIG 1 4.694 0.621 0.719 0.00 0.00 +0.167 A ATOM 22 C LIG 1 5.853 1.304 1.113 0.00 0.00 +0.039 A ATOM 23 C LIG 1 7.044 1.083 0.432 0.00 0.00 +0.069 A BRANCH 15 24 ATOM 24 C LIG 1 2.620 -3.057 -0.445 0.00 0.00 +0.042 C ATOM 25 C LIG 1 3.862 -3.923 -0.615 0.00 0.00 +0.007 C ENDBRANCH 15 24 BRANCH 11 26 ATOM 26 O LIG 1 8.234 -0.006 -1.270 0.00 0.00 -0.477 OA BRANCH 26 28 ATOM 27 C LIG 1 8.352 -2.335 -1.955 0.00 0.00 +0.048 C ATOM 28 C LIG 1 8.175 -0.890 -2.391 0.00 0.00 +0.227 C ENDBRANCH 26 28 ENDBRANCH 11 26 ENDBRANCH 10 17 ENDBRANCH 1 10 BRANCH 7 29 ATOM 29 C LIG 1 -3.871 -0.501 -0.258 0.00 0.00 +0.060 C BRANCH 29 30 ATOM 30 C LIG 1 -4.579 0.083 0.983 0.00 0.00 -0.034 A ATOM 31 C LIG 1 -5.080 1.415 1.067 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -4.918 2.431 -0.027 0.00 0.00 +0.046 C ATOM 33 C LIG 1 -5.721 1.788 2.273 0.00 0.00 +0.116 A ATOM 34 N LIG 1 -6.283 2.989 2.635 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 -6.768 2.870 3.862 0.00 0.00 -0.065 NA ATOM 36 N LIG 1 -6.513 1.617 4.276 0.00 0.00 -0.247 N ATOM 37 C LIG 1 -6.926 1.215 5.594 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -5.860 0.886 3.320 0.00 0.00 +0.089 A ATOM 39 C LIG 1 -5.389 -0.422 3.261 0.00 0.00 +0.030 A ATOM 40 C LIG 1 -4.753 -0.800 2.076 0.00 0.00 +0.007 A ENDBRANCH 29 30 BRANCH 29 41 ATOM 41 C LIG 1 -4.932 -0.857 -1.320 0.00 0.00 +0.133 C BRANCH 41 42 ATOM 42 C LIG 1 -4.439 -1.897 -2.298 0.00 0.00 +0.306 C ATOM 43 O LIG 1 -3.457 -2.605 -2.144 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 O LIG 1 -5.239 -2.005 -3.385 0.00 0.00 -0.481 OA ATOM 45 H LIG 1 -6.016 -1.414 -3.376 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 29 41 ENDBRANCH 7 29 TORSDOF 10