REMARK Name = BDB036436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.731 -1.048 2.535 0.00 0.00 +0.137 A ATOM 2 C LIG 1 0.561 -1.808 2.623 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -0.627 -1.086 2.637 0.00 0.00 +0.176 A ATOM 4 C LIG 1 -0.705 0.293 2.582 0.00 0.00 +0.106 A ATOM 5 C LIG 1 -2.097 0.557 2.620 0.00 0.00 +0.192 A ATOM 6 N LIG 1 -2.808 -0.573 2.683 0.00 0.00 -0.060 NA ATOM 7 C LIG 1 0.481 1.041 2.482 0.00 0.00 +0.138 A ATOM 8 O LIG 1 -1.882 -1.603 2.700 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 1.702 0.353 2.497 0.00 0.00 +0.093 A ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.642 1.838 2.583 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -1.979 2.590 2.392 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -4.138 2.138 1.885 0.00 0.00 +0.073 S ATOM 13 O LIG 1 -5.152 1.537 2.729 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -4.172 3.575 1.675 0.00 0.00 -0.150 OA BRANCH 12 15 ATOM 15 C LIG 1 -4.143 1.364 0.329 0.00 0.00 +0.128 C ATOM 16 C LIG 1 -5.243 0.380 0.045 0.00 0.00 +0.068 C ATOM 17 C LIG 1 -5.372 -0.036 -1.444 0.00 0.00 +0.017 C ATOM 18 C LIG 1 -4.101 0.151 -2.239 0.00 0.00 -0.019 C ATOM 19 C LIG 1 -3.090 0.919 -1.808 0.00 0.00 +0.043 C ATOM 20 C LIG 1 -3.167 1.638 -0.554 0.00 0.00 +0.142 C BRANCH 17 21 ATOM 21 C LIG 1 -5.954 -1.458 -1.590 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -5.026 -2.590 -1.165 0.00 0.00 +0.004 C ENDBRANCH 17 21 BRANCH 20 23 ATOM 23 O LIG 1 -2.113 2.488 -0.291 0.00 0.00 -0.493 OA ATOM 24 C LIG 1 -2.222 3.700 -1.041 0.00 0.00 +0.277 C ENDBRANCH 20 23 ENDBRANCH 12 15 ENDBRANCH 10 12 ENDBRANCH 5 10 BRANCH 7 25 ATOM 25 O LIG 1 0.398 2.410 2.410 0.00 0.00 -0.494 OA ATOM 26 C LIG 1 1.188 2.953 1.351 0.00 0.00 +0.277 C ENDBRANCH 7 25 BRANCH 1 27 ATOM 27 O LIG 1 2.927 -1.729 2.568 0.00 0.00 -0.438 OA BRANCH 27 31 ATOM 28 C LIG 1 5.444 -1.490 -0.717 0.00 0.00 +0.052 A ATOM 29 C LIG 1 4.154 -0.964 -0.728 0.00 0.00 +0.138 A ATOM 30 N LIG 1 3.299 -1.018 0.325 0.00 0.00 -0.219 NA ATOM 31 C LIG 1 3.747 -1.620 1.448 0.00 0.00 +0.221 A ATOM 32 C LIG 1 5.008 -2.181 1.559 0.00 0.00 +0.069 A ATOM 33 C LIG 1 5.866 -2.113 0.461 0.00 0.00 +0.030 A BRANCH 28 35 ATOM 34 C LIG 1 6.147 -0.832 -3.017 0.00 0.00 +0.276 C ATOM 35 N LIG 1 6.350 -1.451 -1.798 0.00 0.00 -0.278 N ATOM 36 H LIG 1 7.252 -1.877 -1.636 0.00 0.00 +0.155 HD ATOM 37 O LIG 1 5.165 -0.168 -3.330 0.00 0.00 -0.267 OA BRANCH 34 39 ATOM 38 C LIG 1 8.126 -2.012 -4.067 0.00 0.00 +0.055 C ATOM 39 C LIG 1 7.280 -0.981 -3.983 0.00 0.00 +0.178 C ATOM 40 F LIG 1 7.378 0.018 -4.887 0.00 0.00 -0.201 F ENDBRANCH 34 39 ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 10