REMARK Name = BDB013608 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.787 0.415 1.050 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.689 0.556 2.449 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.819 1.111 3.273 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.484 0.147 3.097 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.556 -0.380 2.375 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.493 -0.512 0.980 0.00 0.00 -0.039 A ATOM 7 C LIG 1 0.320 -0.091 0.338 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.044 0.850 0.305 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.013 -1.442 -1.393 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.830 -0.702 -0.477 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -5.288 0.503 -0.929 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -4.608 1.449 -1.699 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -5.240 2.657 -2.046 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -6.541 2.923 -1.625 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -7.215 1.993 -0.841 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -2.918 1.278 -2.213 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -2.929 0.580 -3.481 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -2.306 2.587 -2.099 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.188 0.285 -1.063 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.587 0.796 -0.491 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.530 -1.169 -1.099 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -4.231 -3.501 0.160 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.367 -2.935 -1.249 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.682 -1.120 0.239 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 3.957 -0.266 0.322 0.00 0.00 -0.037 A ATOM 26 C LIG 1 4.069 1.058 -0.155 0.00 0.00 -0.046 A ATOM 27 C LIG 1 2.923 1.831 -0.752 0.00 0.00 +0.044 C ATOM 28 C LIG 1 5.299 1.736 -0.019 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.417 1.126 0.563 0.00 0.00 +0.017 A ATOM 30 C LIG 1 6.309 -0.184 1.023 0.00 0.00 +0.011 A ATOM 31 C LIG 1 5.096 -0.867 0.904 0.00 0.00 +0.005 A BRANCH 29 32 ATOM 32 C LIG 1 7.685 1.909 0.669 0.00 0.00 +0.160 C ATOM 33 O LIG 1 7.764 3.023 0.156 0.00 0.00 -0.292 OA ATOM 34 C LIG 1 8.854 1.307 1.405 0.00 0.00 +0.091 C ENDBRANCH 29 32 ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 2.461 -1.605 -1.207 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 1.648 -2.876 -1.230 0.00 0.00 +0.306 C ATOM 37 O LIG 1 0.429 -2.918 -1.291 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 2.402 -3.998 -1.160 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 3.365 -3.842 -1.151 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 24 35 ENDBRANCH 6 24 TORSDOF 9