REMARK Name = BDB036442 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.330 2.167 0.105 0.00 0.00 -0.019 A ATOM 2 C LIG 1 0.639 1.958 1.316 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -0.752 1.919 1.249 0.00 0.00 +0.173 A ATOM 4 C LIG 1 -1.482 2.088 0.089 0.00 0.00 +0.106 A ATOM 5 C LIG 1 -2.828 1.953 0.508 0.00 0.00 +0.192 A ATOM 6 N LIG 1 -2.910 1.734 1.824 0.00 0.00 -0.060 NA ATOM 7 C LIG 1 -0.790 2.330 -1.107 0.00 0.00 +0.135 A ATOM 8 O LIG 1 -1.604 1.710 2.287 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 0.614 2.347 -1.092 0.00 0.00 +0.052 A ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.914 2.039 -0.352 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -3.731 2.011 -1.353 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -5.471 1.610 0.057 0.00 0.00 +0.077 S ATOM 13 O LIG 1 -6.233 1.583 -1.177 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -5.913 2.445 1.156 0.00 0.00 -0.150 OA BRANCH 12 15 ATOM 15 C LIG 1 -5.334 -0.061 0.627 0.00 0.00 +0.150 A ATOM 16 C LIG 1 -4.850 -1.058 -0.224 0.00 0.00 +0.147 A ATOM 17 C LIG 1 -4.735 -2.370 0.246 0.00 0.00 +0.047 A ATOM 18 C LIG 1 -5.138 -2.686 1.545 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -5.641 -1.692 2.385 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -5.739 -0.377 1.929 0.00 0.00 +0.032 A BRANCH 16 21 ATOM 21 O LIG 1 -4.404 -0.746 -1.480 0.00 0.00 -0.493 OA ATOM 22 C LIG 1 -5.232 -1.337 -2.485 0.00 0.00 +0.277 C ENDBRANCH 16 21 ENDBRANCH 12 15 ENDBRANCH 10 12 ENDBRANCH 5 10 BRANCH 7 23 ATOM 23 O LIG 1 -1.475 2.482 -2.290 0.00 0.00 -0.494 OA ATOM 24 C LIG 1 -1.452 3.849 -2.707 0.00 0.00 +0.277 C ENDBRANCH 7 23 BRANCH 1 25 ATOM 25 C LIG 1 2.842 2.195 0.099 0.00 0.00 +0.178 C BRANCH 25 28 ATOM 26 C LIG 1 4.139 -1.181 0.322 0.00 0.00 +0.007 A ATOM 27 C LIG 1 3.522 -0.184 -0.409 0.00 0.00 +0.113 A ATOM 28 N LIG 1 3.406 0.892 0.426 0.00 0.00 -0.267 N ATOM 29 N LIG 1 3.912 0.667 1.655 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 4.357 -0.590 1.587 0.00 0.00 +0.139 A BRANCH 26 31 ATOM 31 C LIG 1 4.497 -2.557 -0.102 0.00 0.00 +0.146 C BRANCH 31 33 ATOM 32 C LIG 1 6.982 -2.639 -0.295 0.00 0.00 +0.400 C ATOM 33 N LIG 1 5.738 -2.509 -0.832 0.00 0.00 -0.277 N ATOM 34 H LIG 1 5.734 -2.158 -1.778 0.00 0.00 +0.152 HD ATOM 35 O LIG 1 7.991 -2.465 -0.965 0.00 0.00 -0.226 OA BRANCH 32 37 ATOM 36 C LIG 1 8.262 -3.098 1.602 0.00 0.00 +0.282 C ATOM 37 O LIG 1 6.965 -2.974 1.020 0.00 0.00 -0.454 OA ENDBRANCH 32 37 ENDBRANCH 31 33 ENDBRANCH 26 31 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 10