REMARK Name = BDB058781 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.219 0.434 -0.407 0.00 0.00 +0.060 A ATOM 2 C LIG 1 0.635 0.530 0.877 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -0.782 0.590 0.993 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.326 0.628 2.302 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.525 0.644 3.447 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.852 0.614 3.321 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.596 0.606 -0.187 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -0.970 0.473 -1.434 0.00 0.00 +0.025 A ATOM 9 C LIG 1 1.424 0.553 2.053 0.00 0.00 +0.010 A ATOM 10 C LIG 1 0.417 0.414 -1.548 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -2.999 0.653 -0.063 0.00 0.00 -0.329 N ATOM 12 H LIG 1 -3.260 1.283 0.695 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 CA LIG 1 -3.894 0.864 -1.233 0.00 0.00 +0.208 C BRANCH 13 14 ATOM 14 C LIG 1 -5.365 0.541 -0.838 0.00 0.00 +0.147 C ATOM 15 C LIG 1 -6.344 0.895 -1.962 0.00 0.00 +0.040 C BRANCH 14 16 ATOM 16 O LIG 1 -5.491 -0.878 -0.636 0.00 0.00 -0.369 OA BRANCH 16 17 ATOM 17 C LIG 1 -6.064 -1.346 0.593 0.00 0.00 +0.062 C ATOM 18 C LIG 1 -7.498 -0.840 0.787 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -6.100 -2.876 0.457 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -5.189 -0.987 1.800 0.00 0.00 +0.041 C ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 13 14 BRANCH 13 21 ATOM 21 C LIG 1 -3.808 2.326 -1.671 0.00 0.00 +0.328 C ATOM 22 O LIG 1 -3.967 3.304 -0.954 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 OXT LIG 1 -3.538 2.481 -2.983 0.00 0.00 -0.479 OA ATOM 24 HXT LIG 1 -3.483 3.452 -3.106 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 13 21 ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 25 ATOM 25 N LIG 1 2.664 0.460 -0.539 0.00 0.00 -0.192 N BRANCH 25 26 ATOM 26 S LIG 1 3.319 -0.899 -1.353 0.00 0.00 +0.075 S ATOM 27 O LIG 1 2.642 -2.100 -0.910 0.00 0.00 -0.150 OA ATOM 28 O LIG 1 3.403 -0.570 -2.762 0.00 0.00 -0.150 OA BRANCH 26 32 ATOM 29 C LIG 1 7.565 -1.174 0.314 0.00 0.00 +0.120 A ATOM 30 C LIG 1 7.363 -0.789 -1.014 0.00 0.00 +0.047 A ATOM 31 C LIG 1 6.067 -0.710 -1.536 0.00 0.00 +0.032 A ATOM 32 C LIG 1 4.974 -1.003 -0.717 0.00 0.00 +0.109 A ATOM 33 C LIG 1 5.165 -1.409 0.605 0.00 0.00 +0.032 A ATOM 34 C LIG 1 6.462 -1.486 1.116 0.00 0.00 +0.047 A BRANCH 29 36 ATOM 35 C LIG 1 9.934 -1.043 0.155 0.00 0.00 +0.277 C ATOM 36 O LIG 1 8.774 -1.279 0.944 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 26 32 ENDBRANCH 25 26 BRANCH 25 37 ATOM 37 C LIG 1 3.197 1.792 -0.953 0.00 0.00 +0.251 C BRANCH 37 38 ATOM 38 C LIG 1 4.576 2.097 -0.433 0.00 0.00 +0.324 C ATOM 39 O LIG 1 5.491 2.586 -1.078 0.00 0.00 -0.249 OA BRANCH 38 40 ATOM 40 O LIG 1 4.740 1.819 0.877 0.00 0.00 -0.479 OA ATOM 41 H LIG 1 5.682 2.023 1.058 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 25 37 ENDBRANCH 1 25 TORSDOF 14