REMARK Name = BDB026609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.328 -2.196 -1.163 0.00 0.00 +0.056 A ATOM 2 C LIG 1 1.400 -1.968 0.235 0.00 0.00 +0.006 A ATOM 3 C LIG 1 0.392 -1.175 0.844 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.469 -0.941 2.236 0.00 0.00 +0.010 A ATOM 5 C LIG 1 1.500 -1.460 3.017 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.486 -2.232 2.425 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.660 -0.629 0.056 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -0.690 -0.882 -1.323 0.00 0.00 +0.025 A ATOM 9 C LIG 1 2.437 -2.484 1.054 0.00 0.00 +0.010 A ATOM 10 C LIG 1 0.294 -1.657 -1.926 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -1.644 0.173 0.663 0.00 0.00 -0.316 N ATOM 12 C LIG 1 -1.653 1.599 0.231 0.00 0.00 +0.183 C ATOM 13 C LIG 1 -3.092 1.866 -0.221 0.00 0.00 +0.043 C ATOM 14 C LIG 1 -3.910 0.882 0.622 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -3.016 -0.367 0.621 0.00 0.00 +0.114 C BRANCH 14 16 ATOM 16 C LIG 1 -5.320 0.655 0.131 0.00 0.00 -0.043 A ATOM 17 C LIG 1 -5.593 0.189 -1.165 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -6.909 -0.013 -1.588 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -7.969 0.247 -0.724 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.715 0.709 0.565 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.400 0.911 0.989 0.00 0.00 +0.004 A ENDBRANCH 14 16 BRANCH 12 22 ATOM 22 C LIG 1 -1.288 2.528 1.395 0.00 0.00 +0.325 C ATOM 23 O LIG 1 -1.378 2.308 2.593 0.00 0.00 -0.249 OA BRANCH 22 24 ATOM 24 O LIG 1 -0.863 3.740 0.969 0.00 0.00 -0.479 OA ATOM 25 H LIG 1 -0.656 4.213 1.802 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 12 22 ENDBRANCH 7 11 BRANCH 1 26 ATOM 26 N LIG 1 2.343 -2.934 -1.849 0.00 0.00 -0.216 N ATOM 27 H LIG 1 2.762 -3.732 -1.377 0.00 0.00 +0.174 HD BRANCH 26 28 ATOM 28 S LIG 1 3.432 -2.111 -2.842 0.00 0.00 +0.072 S ATOM 29 O LIG 1 2.708 -1.460 -3.912 0.00 0.00 -0.150 OA ATOM 30 O LIG 1 4.497 -3.051 -3.125 0.00 0.00 -0.150 OA BRANCH 28 34 ATOM 31 C LIG 1 5.169 1.136 -0.130 0.00 0.00 +0.120 A ATOM 32 C LIG 1 5.773 -0.123 -0.193 0.00 0.00 +0.047 A ATOM 33 C LIG 1 5.244 -1.117 -1.023 0.00 0.00 +0.032 A ATOM 34 C LIG 1 4.101 -0.850 -1.782 0.00 0.00 +0.109 A ATOM 35 C LIG 1 3.506 0.413 -1.746 0.00 0.00 +0.032 A ATOM 36 C LIG 1 4.039 1.397 -0.913 0.00 0.00 +0.047 A BRANCH 31 38 ATOM 37 C LIG 1 6.708 1.968 1.480 0.00 0.00 +0.277 C ATOM 38 O LIG 1 5.583 2.188 0.639 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 28 34 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 8