REMARK Name = BDB024656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.662 -0.035 0.784 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.628 -0.786 0.198 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.931 -2.144 -0.301 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.796 -3.184 0.819 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.112 -2.495 -1.539 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.634 -2.416 -1.238 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.284 -1.118 -0.568 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.941 -0.670 -0.607 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.857 -1.271 -1.196 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.169 -0.476 -0.979 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.214 0.630 -0.239 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.569 0.518 0.004 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.492 1.307 0.685 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.820 0.854 0.732 0.00 0.00 +0.026 A ATOM 15 C LIG 1 4.249 -0.338 0.123 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.600 1.125 1.177 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.663 1.713 0.202 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.308 3.066 -0.428 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -1.346 4.149 -0.102 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.092 3.920 1.223 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -1.192 3.195 2.225 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -0.793 1.798 1.736 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -3.247 3.122 0.928 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -4.284 3.254 1.893 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.919 -0.032 1.464 0.00 0.00 +0.282 C ATOM 26 O LIG 1 7.829 -0.746 0.879 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -1.559 -0.757 -1.462 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.424 -1.389 -0.362 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.908 -1.244 -0.670 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -4.712 -0.446 0.154 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -6.068 -0.285 -0.127 0.00 0.00 +0.165 A ATOM 32 F LIG 1 -6.800 0.489 0.691 0.00 0.00 -0.202 F ATOM 33 C LIG 1 -6.664 -0.906 -1.227 0.00 0.00 +0.155 A ATOM 34 C LIG 1 -5.868 -1.699 -2.054 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -4.503 -1.863 -1.780 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 O LIG 1 -8.002 -0.671 -1.393 0.00 0.00 -0.492 OA ATOM 37 C LIG 1 -8.640 -1.306 -2.493 0.00 0.00 +0.277 C ENDBRANCH 33 36 ENDBRANCH 28 29 BRANCH 28 38 ATOM 38 C LIG 1 -2.009 -2.836 -0.159 0.00 0.00 +0.313 C ATOM 39 O LIG 1 -2.149 -3.762 -0.942 0.00 0.00 -0.250 OA BRANCH 38 40 ATOM 40 O LIG 1 -1.426 -3.045 1.042 0.00 0.00 -0.480 OA ATOM 41 H LIG 1 -1.147 -3.984 1.005 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 28 38 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 9