REMARK Name = BDB013576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.264 -0.239 1.164 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.157 -0.754 2.471 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.233 -0.554 3.502 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.995 -1.473 2.828 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.030 -1.679 1.913 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.940 -1.177 0.611 0.00 0.00 -0.039 A ATOM 7 C LIG 1 0.791 -0.454 0.255 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.453 0.581 0.694 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.413 -0.795 -0.416 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.668 0.279 0.503 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -4.707 1.530 -0.046 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -3.862 2.060 -1.024 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -4.027 3.390 -1.450 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -5.029 4.189 -0.901 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -5.860 3.671 0.087 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -2.493 1.179 -1.724 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -1.397 2.120 -1.856 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -2.994 0.464 -2.878 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.035 0.049 -0.562 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -5.692 2.353 0.515 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.915 -1.137 -0.383 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -5.191 -3.196 -0.849 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.275 -1.978 0.057 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 3.059 -1.374 -0.410 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 4.291 -0.544 -0.040 0.00 0.00 -0.036 A ATOM 26 C LIG 1 4.291 0.834 -0.346 0.00 0.00 +0.051 A ATOM 27 C LIG 1 5.375 1.658 -0.020 0.00 0.00 +0.138 A ATOM 28 C LIG 1 6.485 1.095 0.625 0.00 0.00 +0.093 A ATOM 29 C LIG 1 6.494 -0.269 0.942 0.00 0.00 +0.023 A ATOM 30 C LIG 1 5.405 -1.081 0.617 0.00 0.00 +0.006 A BRANCH 27 31 ATOM 31 O LIG 1 5.440 3.000 -0.289 0.00 0.00 -0.494 OA ATOM 32 C LIG 1 4.303 3.610 -0.889 0.00 0.00 +0.277 C ENDBRANCH 27 31 BRANCH 28 33 ATOM 33 C LIG 1 7.625 1.893 0.981 0.00 0.00 +0.103 C ATOM 34 N LIG 1 8.566 2.500 1.287 0.00 0.00 -0.191 NA ENDBRANCH 28 33 ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 3.297 -2.872 -0.661 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 4.246 -3.107 -1.800 0.00 0.00 +0.306 C ATOM 37 O LIG 1 5.331 -3.658 -1.722 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 3.775 -2.675 -2.983 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 4.482 -2.903 -3.623 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 24 35 ENDBRANCH 6 24 TORSDOF 10