REMARK Name = BDB061570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.682 -0.572 -1.534 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -1.107 0.524 -2.162 0.00 0.00 +0.110 A ATOM 3 C LIG 1 0.205 0.357 -2.582 0.00 0.00 +0.126 A ATOM 4 N LIG 1 0.868 -0.814 -2.471 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 0.228 -1.819 -1.869 0.00 0.00 +0.190 A ATOM 6 N LIG 1 -1.022 -1.746 -1.391 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.791 0.360 0.460 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -5.647 -0.691 0.098 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -5.217 -1.714 -0.762 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -3.926 -1.648 -1.296 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -3.047 -0.596 -0.968 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -3.494 0.389 -0.065 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 -4.599 2.520 1.451 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -5.293 1.283 1.338 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -6.903 -0.765 0.659 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -7.845 -0.075 -0.161 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -6.125 -2.703 -1.045 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -5.605 -3.920 -1.565 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -1.827 1.736 -2.386 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -2.421 2.717 -2.563 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 1.169 1.661 -3.337 0.00 0.00 -0.042 S BRANCH 21 22 ATOM 22 C LIG 1 1.478 2.625 -1.901 0.00 0.00 +0.141 A ATOM 23 S LIG 1 2.627 3.904 -1.903 0.00 0.00 -0.069 S ATOM 24 C LIG 1 2.226 4.251 -0.273 0.00 0.00 +0.067 A ATOM 25 C LIG 1 1.248 3.382 0.160 0.00 0.00 +0.120 A ATOM 26 N LIG 1 0.823 2.450 -0.769 0.00 0.00 -0.241 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 27 ATOM 27 S LIG 1 1.074 -3.360 -1.712 0.00 0.00 -0.081 S BRANCH 27 28 ATOM 28 C LIG 1 1.374 -3.306 0.078 0.00 0.00 +0.112 C BRANCH 28 29 ATOM 29 C LIG 1 2.448 -2.318 0.463 0.00 0.00 -0.037 A ATOM 30 C LIG 1 3.798 -2.603 0.234 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.795 -1.678 0.569 0.00 0.00 +0.004 A ATOM 32 C LIG 1 4.478 -0.435 1.141 0.00 0.00 -0.042 A ATOM 33 C LIG 1 3.115 -0.161 1.364 0.00 0.00 +0.004 A ATOM 34 C LIG 1 2.116 -1.084 1.032 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 5.550 0.609 1.505 0.00 0.00 -0.013 C ATOM 36 C LIG 1 5.470 0.940 3.013 0.00 0.00 +0.015 C ATOM 37 C LIG 1 7.000 0.150 1.215 0.00 0.00 +0.015 C ATOM 38 C LIG 1 5.308 1.897 0.690 0.00 0.00 +0.015 C ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 11