REMARK Name = BDB013575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.485 -2.064 -0.936 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.672 -3.146 -0.056 0.00 0.00 -0.046 A ATOM 3 C LIG 1 2.024 -3.732 0.239 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.440 -3.672 0.624 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.724 -3.150 0.443 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.934 -2.083 -0.432 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -0.820 -1.565 -1.118 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.620 -1.357 -1.657 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 4.058 0.258 0.778 0.00 0.00 +0.189 C ATOM 10 O LIG 1 4.246 1.653 0.467 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 3.134 2.381 0.780 0.00 0.00 +0.147 A ATOM 12 C LIG 1 1.955 2.320 0.048 0.00 0.00 +0.147 A ATOM 13 C LIG 1 0.852 3.092 0.435 0.00 0.00 +0.032 A ATOM 14 C LIG 1 0.942 3.931 1.547 0.00 0.00 +0.002 A ATOM 15 C LIG 1 2.135 4.008 2.263 0.00 0.00 +0.004 A ATOM 16 S LIG 1 1.840 1.313 -1.398 0.00 0.00 +0.065 S ATOM 17 O LIG 1 0.451 1.328 -1.814 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 2.875 1.706 -2.329 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 2.198 -0.262 -0.829 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 3.233 3.242 1.875 0.00 0.00 +0.047 A ATOM 21 C LIG 1 3.640 -0.492 -0.496 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 5.393 -1.631 1.893 0.00 0.00 +0.007 C ATOM 23 C LIG 1 5.417 -0.225 1.317 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -3.292 -1.408 -0.646 0.00 0.00 +0.063 C BRANCH 24 25 ATOM 25 C LIG 1 -3.303 -0.002 -0.037 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -3.379 1.144 -0.855 0.00 0.00 +0.125 A ATOM 27 C LIG 1 -3.354 2.417 -0.275 0.00 0.00 +0.064 A ATOM 28 C LIG 1 -3.228 2.563 1.110 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -3.147 1.434 1.925 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -3.187 0.161 1.356 0.00 0.00 +0.009 A BRANCH 26 31 ATOM 31 O LIG 1 -3.498 0.922 -2.203 0.00 0.00 -0.495 OA ATOM 32 C LIG 1 -3.114 1.991 -3.062 0.00 0.00 +0.277 C ENDBRANCH 26 31 BRANCH 28 33 ATOM 33 C LIG 1 -3.142 3.872 1.683 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -3.019 4.936 2.129 0.00 0.00 -0.191 NA ENDBRANCH 28 33 ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 -4.506 -2.240 -0.197 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 -5.817 -1.600 -0.575 0.00 0.00 +0.306 C ATOM 37 O LIG 1 -6.617 -1.168 0.242 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -6.068 -1.585 -1.899 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -5.355 -1.950 -2.454 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 24 35 ENDBRANCH 6 24 TORSDOF 10