REMARK Name = BDB034928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.637 -0.109 -0.727 0.00 0.00 -0.004 A ATOM 2 C LIG 1 -1.058 0.572 -1.838 0.00 0.00 -0.010 A ATOM 3 C LIG 1 0.362 0.655 -1.945 0.00 0.00 +0.006 A ATOM 4 C LIG 1 0.905 1.312 -3.079 0.00 0.00 +0.010 A ATOM 5 C LIG 1 0.110 1.890 -4.066 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.264 1.833 -3.949 0.00 0.00 +0.001 A ATOM 7 C LIG 1 1.180 0.082 -0.920 0.00 0.00 +0.078 A ATOM 8 C LIG 1 0.604 -0.560 0.196 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -1.835 1.187 -2.853 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -0.792 -0.638 0.269 0.00 0.00 +0.017 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 1.390 -1.158 1.289 0.00 0.00 -0.016 A ATOM 12 C LIG 1 1.388 -0.576 2.567 0.00 0.00 +0.008 A ATOM 13 C LIG 1 2.100 -1.155 3.621 0.00 0.00 +0.001 A ATOM 14 C LIG 1 2.826 -2.324 3.410 0.00 0.00 +0.000 A ATOM 15 C LIG 1 2.835 -2.919 2.151 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.117 -2.344 1.100 0.00 0.00 +0.008 A ENDBRANCH 8 11 BRANCH 7 17 ATOM 17 N LIG 1 2.627 0.163 -0.980 0.00 0.00 -0.104 N ATOM 18 C LIG 1 3.266 -0.670 -1.909 0.00 0.00 +0.425 C ATOM 19 O LIG 1 4.395 -0.516 -2.345 0.00 0.00 -0.224 OA BRANCH 17 20 ATOM 20 S LIG 1 3.314 1.601 -0.432 0.00 0.00 +0.084 S ATOM 21 O LIG 1 3.529 2.479 -1.567 0.00 0.00 -0.149 OA ATOM 22 O LIG 1 2.586 2.083 0.726 0.00 0.00 -0.149 OA BRANCH 20 23 ATOM 23 C LIG 1 4.919 1.101 0.165 0.00 0.00 +0.109 A ATOM 24 C LIG 1 5.022 0.471 1.405 0.00 0.00 +0.032 A ATOM 25 C LIG 1 6.279 0.098 1.884 0.00 0.00 +0.047 A ATOM 26 C LIG 1 7.434 0.364 1.143 0.00 0.00 +0.120 A ATOM 27 C LIG 1 7.324 1.016 -0.088 0.00 0.00 +0.047 A ATOM 28 C LIG 1 6.068 1.392 -0.576 0.00 0.00 +0.032 A BRANCH 26 29 ATOM 29 O LIG 1 8.596 -0.057 1.728 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 9.804 0.218 1.030 0.00 0.00 +0.277 C ENDBRANCH 26 29 ENDBRANCH 20 23 ENDBRANCH 17 20 BRANCH 18 31 ATOM 31 O LIG 1 2.561 -1.742 -2.336 0.00 0.00 -0.465 OA ATOM 32 H LIG 1 3.179 -2.163 -2.966 0.00 0.00 +0.297 HD ENDBRANCH 18 31 ENDBRANCH 7 17 BRANCH 1 33 ATOM 33 C LIG 1 -3.148 -0.294 -0.563 0.00 0.00 +0.274 C BRANCH 33 34 ATOM 34 S LIG 1 -3.777 0.957 0.541 0.00 0.00 +0.014 S ATOM 35 O LIG 1 -3.196 0.818 1.863 0.00 0.00 -0.168 OA ATOM 36 O LIG 1 -3.716 2.238 -0.145 0.00 0.00 -0.168 OA BRANCH 34 40 ATOM 37 C LIG 1 -8.257 0.072 0.896 0.00 0.00 +0.120 A ATOM 38 C LIG 1 -7.379 -0.314 1.914 0.00 0.00 +0.047 A ATOM 39 C LIG 1 -6.012 -0.047 1.818 0.00 0.00 +0.030 A ATOM 40 C LIG 1 -5.520 0.593 0.681 0.00 0.00 +0.090 A ATOM 41 C LIG 1 -6.388 1.001 -0.336 0.00 0.00 +0.030 A ATOM 42 C LIG 1 -7.756 0.734 -0.228 0.00 0.00 +0.047 A BRANCH 37 44 ATOM 43 C LIG 1 -10.514 0.186 0.155 0.00 0.00 +0.277 C ATOM 44 O LIG 1 -9.566 -0.251 1.121 0.00 0.00 -0.495 OA ENDBRANCH 37 44 ENDBRANCH 34 40 ENDBRANCH 33 34 BRANCH 33 45 ATOM 45 C LIG 1 -3.544 -1.668 -0.103 0.00 0.00 +0.334 C ATOM 46 O LIG 1 -3.754 -2.066 1.028 0.00 0.00 -0.248 OA BRANCH 45 47 ATOM 47 O LIG 1 -3.622 -2.546 -1.133 0.00 0.00 -0.479 OA ATOM 48 H LIG 1 -3.832 -3.407 -0.709 0.00 0.00 +0.295 HD ENDBRANCH 45 47 ENDBRANCH 33 45 ENDBRANCH 1 33 TORSDOF 12