REMARK Name = BDB035739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.240 -1.428 -0.097 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.472 -0.327 -0.489 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.798 0.755 -0.941 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.933 -0.671 -0.236 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.064 0.090 -0.472 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.307 -0.465 -0.139 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.364 -1.763 0.427 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.202 -2.523 0.661 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.984 -1.946 0.314 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.402 -2.490 0.446 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.838 -0.669 -0.907 0.00 0.00 -0.002 A ATOM 12 C LIG 1 3.436 -0.578 -0.834 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.654 -1.551 -0.188 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.311 -2.660 0.363 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.698 -2.788 0.282 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.452 -1.804 -0.347 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 5.737 0.366 -1.599 0.00 0.00 +0.195 C ATOM 18 F LIG 1 6.519 -0.350 -2.492 0.00 0.00 -0.228 F BRANCH 17 19 ATOM 19 C LIG 1 6.689 1.067 -0.641 0.00 0.00 +0.175 A ATOM 20 N LIG 1 6.450 1.463 0.658 0.00 0.00 -0.318 N ATOM 21 C LIG 1 5.264 1.327 1.461 0.00 0.00 +0.151 C ATOM 22 C LIG 1 7.600 2.054 1.093 0.00 0.00 +0.224 A ATOM 23 N LIG 1 8.493 2.043 0.138 0.00 0.00 -0.138 NA ATOM 24 N LIG 1 7.926 1.429 -0.948 0.00 0.00 -0.131 NA ENDBRANCH 17 19 BRANCH 17 26 ATOM 25 C LIG 1 4.363 2.603 -1.857 0.00 0.00 +0.008 C ATOM 26 C LIG 1 5.040 1.406 -2.516 0.00 0.00 +0.050 C ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 27 ATOM 27 C LIG 1 -2.264 -3.897 1.270 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -3.525 -4.334 1.530 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -1.695 -4.839 0.467 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.587 -3.965 2.450 0.00 0.00 -0.166 F ENDBRANCH 8 27 BRANCH 6 31 ATOM 31 C LIG 1 -4.585 0.318 -0.359 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -5.140 0.732 0.925 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 -4.465 1.351 1.375 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 -6.516 1.252 0.940 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -6.984 1.937 -0.369 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -8.294 1.125 -0.245 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -7.528 0.116 0.641 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -6.782 2.029 2.225 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 8