REMARK Name = BDB013432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.218 0.086 1.996 0.00 0.00 -0.043 A ATOM 2 C LIG 1 0.173 0.567 0.672 0.00 0.00 -0.028 A ATOM 3 C LIG 1 1.277 0.334 -0.176 0.00 0.00 +0.009 A ATOM 4 C LIG 1 2.398 -0.400 0.244 0.00 0.00 -0.039 A ATOM 5 C LIG 1 2.435 -0.840 1.572 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.364 -0.600 2.432 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.687 -1.054 3.177 0.00 0.00 +0.009 C ATOM 8 C LIG 1 -0.919 0.246 2.979 0.00 0.00 +0.032 C ENDBRANCH 1 8 BRANCH 2 9 ATOM 9 C LIG 1 -1.004 1.338 0.110 0.00 0.00 +0.145 C BRANCH 9 10 ATOM 10 N LIG 1 -2.241 0.532 -0.078 0.00 0.00 -0.169 NA ATOM 11 S LIG 1 -2.297 -0.320 -1.555 0.00 0.00 +0.065 S ATOM 12 O LIG 1 -2.328 0.692 -2.596 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 -1.280 -1.351 -1.572 0.00 0.00 -0.153 OA ATOM 14 C LIG 1 -3.865 -1.135 -1.621 0.00 0.00 +0.147 A ATOM 15 C LIG 1 -4.682 -1.330 -0.512 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -5.883 -2.035 -0.660 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -6.294 -2.486 -1.915 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -5.497 -2.252 -3.031 0.00 0.00 +0.002 A ATOM 19 O LIG 1 -4.365 -0.968 0.761 0.00 0.00 -0.486 OA ATOM 20 C LIG 1 -4.434 0.445 1.050 0.00 0.00 +0.189 C ATOM 21 C LIG 1 -4.283 -1.582 -2.886 0.00 0.00 +0.032 A ATOM 22 C LIG 1 -3.488 1.303 0.190 0.00 0.00 +0.154 C BRANCH 20 23 ATOM 23 C LIG 1 -5.888 0.946 1.051 0.00 0.00 +0.042 C ATOM 24 C LIG 1 -6.042 2.353 1.607 0.00 0.00 +0.007 C ENDBRANCH 20 23 ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 25 ATOM 25 C LIG 1 3.557 -0.768 -0.686 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 4.740 0.182 -0.532 0.00 0.00 -0.036 A ATOM 27 C LIG 1 5.980 -0.310 -0.091 0.00 0.00 +0.050 A ATOM 28 C LIG 1 7.087 0.532 0.056 0.00 0.00 +0.120 A ATOM 29 C LIG 1 6.958 1.887 -0.242 0.00 0.00 +0.045 A ATOM 30 C LIG 1 5.733 2.393 -0.682 0.00 0.00 +0.004 A ATOM 31 C LIG 1 4.632 1.548 -0.826 0.00 0.00 +0.004 A BRANCH 28 32 ATOM 32 O LIG 1 8.224 -0.091 0.494 0.00 0.00 -0.495 OA ATOM 33 C LIG 1 9.378 0.722 0.664 0.00 0.00 +0.277 C ENDBRANCH 28 32 ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 3.197 -0.935 -2.175 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 2.064 -1.911 -2.328 0.00 0.00 +0.306 C ATOM 36 O LIG 1 2.050 -3.066 -1.939 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 0.991 -1.330 -2.899 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 0.204 -1.834 -2.569 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 25 34 ENDBRANCH 4 25 TORSDOF 10