REMARK Name = BDB013521 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.892 0.721 -0.300 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.790 0.972 -1.134 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.449 1.396 -0.613 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.575 1.604 0.776 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -1.867 2.058 1.401 0.00 0.00 +0.044 C ATOM 6 C LIG 1 0.528 1.355 1.606 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.744 0.923 1.077 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 3.217 0.268 -0.910 0.00 0.00 +0.061 C BRANCH 8 11 ATOM 9 C LIG 1 5.732 -1.617 1.320 0.00 0.00 +0.138 A ATOM 10 C LIG 1 5.111 -0.601 0.599 0.00 0.00 +0.053 A ATOM 11 C LIG 1 3.923 -0.839 -0.120 0.00 0.00 -0.015 A ATOM 12 C LIG 1 3.408 -2.151 -0.076 0.00 0.00 +0.042 A ATOM 13 C LIG 1 2.142 -2.555 -0.779 0.00 0.00 +0.066 C ATOM 14 N LIG 1 4.008 -3.156 0.611 0.00 0.00 -0.256 NA ATOM 15 C LIG 1 5.143 -2.867 1.285 0.00 0.00 +0.156 A BRANCH 9 17 ATOM 16 C LIG 1 7.411 -0.200 2.221 0.00 0.00 +0.277 C ATOM 17 O LIG 1 6.874 -1.508 2.059 0.00 0.00 -0.494 OA ENDBRANCH 9 17 ENDBRANCH 8 11 BRANCH 8 18 ATOM 18 C LIG 1 4.064 1.473 -1.373 0.00 0.00 +0.133 C BRANCH 18 19 ATOM 19 C LIG 1 4.150 2.609 -0.387 0.00 0.00 +0.306 C ATOM 20 O LIG 1 4.709 2.598 0.697 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 3.536 3.724 -0.827 0.00 0.00 -0.481 OA ATOM 22 H LIG 1 3.625 4.362 -0.088 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 -1.613 1.608 -1.566 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 N LIG 1 -2.722 0.634 -1.341 0.00 0.00 -0.169 NA ATOM 25 S LIG 1 -4.229 1.224 -1.890 0.00 0.00 +0.065 S ATOM 26 O LIG 1 -4.343 0.941 -3.304 0.00 0.00 -0.153 OA ATOM 27 O LIG 1 -4.346 2.587 -1.406 0.00 0.00 -0.153 OA ATOM 28 C LIG 1 -5.429 0.268 -1.017 0.00 0.00 +0.147 A ATOM 29 C LIG 1 -5.446 -1.120 -1.081 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -6.481 -1.829 -0.463 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -7.466 -1.158 0.262 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.431 0.230 0.358 0.00 0.00 +0.002 A ATOM 33 O LIG 1 -4.536 -1.877 -1.753 0.00 0.00 -0.486 OA ATOM 34 C LIG 1 -3.201 -1.848 -1.226 0.00 0.00 +0.186 C ATOM 35 C LIG 1 -3.083 -1.933 0.299 0.00 0.00 +0.053 C ATOM 36 C LIG 1 -6.419 0.944 -0.285 0.00 0.00 +0.032 A ATOM 37 C LIG 1 -2.366 -0.728 -1.849 0.00 0.00 +0.154 C ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 8