REMARK Name = BDB009520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.544 0.338 -0.895 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.665 1.183 -1.995 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.085 1.002 -3.091 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.578 2.232 -1.977 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.397 2.423 -0.862 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.318 1.556 0.240 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.376 0.516 0.218 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 4.679 -0.346 -1.389 0.00 0.00 +0.076 C ATOM 9 C LIG 1 3.870 -1.488 -2.022 0.00 0.00 +0.041 C ATOM 10 C LIG 1 2.595 -1.782 -1.244 0.00 0.00 +0.110 C ATOM 11 N LIG 1 1.739 -0.604 -1.135 0.00 0.00 -0.297 N ATOM 12 C LIG 1 0.380 -0.809 -0.904 0.00 0.00 +0.249 C ATOM 13 O LIG 1 -0.104 -1.916 -0.673 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.395 0.707 -1.131 0.00 0.00 +0.110 C ATOM 15 C LIG 1 3.807 0.617 -0.569 0.00 0.00 +0.041 C BRANCH 8 18 ATOM 16 O LIG 1 7.057 1.012 -0.753 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 6.879 -0.106 -0.278 0.00 0.00 +0.247 C ATOM 18 N LIG 1 5.767 -0.871 -0.568 0.00 0.00 -0.308 N ATOM 19 H LIG 1 5.578 -1.678 0.008 0.00 0.00 +0.149 HD BRANCH 17 20 ATOM 20 C LIG 1 7.821 -0.708 0.651 0.00 0.00 +0.074 A ATOM 21 C LIG 1 8.926 -0.077 1.191 0.00 0.00 +0.118 A ATOM 22 N LIG 1 9.541 -0.981 2.002 0.00 0.00 -0.284 N ATOM 23 H LIG 1 10.382 -0.859 2.558 0.00 0.00 +0.188 HD ATOM 24 N LIG 1 8.918 -2.170 2.038 0.00 0.00 -0.182 NA ATOM 25 C LIG 1 7.883 -2.005 1.210 0.00 0.00 +0.147 A ENDBRANCH 17 20 ENDBRANCH 8 18 ENDBRANCH 1 12 BRANCH 6 26 ATOM 26 C LIG 1 -3.219 1.744 1.440 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -4.701 1.764 1.084 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -5.415 0.459 0.854 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -4.745 -0.760 0.900 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -3.766 -0.703 0.627 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -5.395 -1.972 0.409 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -6.857 -1.975 0.846 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -7.571 -0.692 0.398 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.732 0.538 0.613 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -7.402 1.854 0.529 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -8.602 1.956 0.295 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -6.601 2.950 0.714 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -7.045 3.861 0.667 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -5.271 2.931 1.004 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5