REMARK Name = BDB036441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.664 1.699 -0.415 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.393 0.777 -0.192 0.00 0.00 +0.106 A ATOM 3 C LIG 1 0.987 1.233 0.968 0.00 0.00 +0.173 A ATOM 4 C LIG 1 2.087 0.640 1.581 0.00 0.00 +0.055 A ATOM 5 C LIG 1 2.604 -0.507 0.957 0.00 0.00 -0.019 A ATOM 6 C LIG 1 2.009 -1.001 -0.224 0.00 0.00 +0.052 A ATOM 7 O LIG 1 0.328 2.337 1.408 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 0.906 -0.369 -0.826 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -0.713 2.629 0.543 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -1.533 1.625 -1.495 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -1.486 0.790 -2.078 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -3.014 2.389 -1.553 0.00 0.00 +0.077 S ATOM 13 O LIG 1 -3.745 1.807 -2.662 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -2.798 3.821 -1.504 0.00 0.00 -0.150 OA BRANCH 12 16 ATOM 15 C LIG 1 -4.009 0.527 0.236 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -3.836 1.888 -0.059 0.00 0.00 +0.150 A ATOM 17 C LIG 1 -4.313 2.883 0.807 0.00 0.00 +0.032 A ATOM 18 C LIG 1 -4.970 2.523 1.980 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -5.149 1.176 2.285 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -4.670 0.184 1.422 0.00 0.00 +0.047 A BRANCH 15 22 ATOM 21 C LIG 1 -3.822 -1.752 -0.451 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -3.491 -0.383 -0.644 0.00 0.00 -0.493 OA ENDBRANCH 15 22 ENDBRANCH 12 16 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 8 23 ATOM 23 O LIG 1 0.277 -0.796 -1.965 0.00 0.00 -0.494 OA ATOM 24 C LIG 1 0.984 -1.735 -2.769 0.00 0.00 +0.277 C ENDBRANCH 8 23 BRANCH 5 25 ATOM 25 C LIG 1 3.796 -1.221 1.558 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 N LIG 1 4.961 -1.148 0.688 0.00 0.00 -0.267 N ATOM 27 N LIG 1 5.256 -2.176 -0.138 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.370 -1.774 -0.754 0.00 0.00 +0.134 A ATOM 29 C LIG 1 6.793 -0.503 -0.327 0.00 0.00 +0.041 A ATOM 30 C LIG 1 5.863 -0.123 0.612 0.00 0.00 +0.108 A ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7