REMARK Name = BDB009432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.465 -0.089 -0.694 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.300 -0.685 -1.940 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.560 -0.183 -2.838 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.018 -1.829 -2.272 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.925 -2.369 -1.357 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.134 -1.759 -0.108 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.386 -0.617 0.220 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 6.407 2.674 -0.931 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.890 1.586 -0.692 0.00 0.00 +0.247 C ATOM 10 N LIG 1 4.515 1.399 -0.531 0.00 0.00 -0.295 N ATOM 11 C LIG 1 3.848 0.149 -0.925 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.482 -0.018 -0.248 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.643 1.178 -0.394 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.251 1.151 -0.348 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.437 2.120 -0.031 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.303 2.431 -0.012 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.676 2.594 -0.673 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 6.789 0.423 -0.539 0.00 0.00 +0.040 A ATOM 19 C LIG 1 7.743 0.175 -1.523 0.00 0.00 +0.033 A ATOM 20 C LIG 1 8.583 -0.905 -1.338 0.00 0.00 +0.111 A ATOM 21 N LIG 1 8.534 -1.717 -0.258 0.00 0.00 -0.263 NA ATOM 22 C LIG 1 7.621 -1.425 0.694 0.00 0.00 +0.111 A ATOM 23 C LIG 1 6.733 -0.370 0.606 0.00 0.00 +0.033 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 -3.116 -2.373 0.867 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 -3.914 -1.365 1.682 0.00 0.00 +0.087 A ATOM 26 C LIG 1 -5.037 -0.616 1.018 0.00 0.00 +0.059 A ATOM 27 N LIG 1 -5.317 -0.769 -0.338 0.00 0.00 -0.342 N ATOM 28 H LIG 1 -4.498 -1.002 -0.897 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 -6.207 0.177 -1.007 0.00 0.00 +0.102 C ATOM 30 C LIG 1 -7.391 0.490 -0.096 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -6.916 0.993 1.274 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -5.752 0.203 1.805 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -5.394 0.374 3.231 0.00 0.00 +0.270 A ATOM 34 O LIG 1 -6.027 1.118 3.971 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -4.308 -0.339 3.668 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -4.049 -0.234 4.643 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -3.575 -1.216 2.929 0.00 0.00 -0.174 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4