REMARK Name = BDB024884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.251 -1.994 1.026 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.721 -1.068 0.109 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.590 -0.005 -0.458 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.629 -0.593 -1.430 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.846 1.111 -1.207 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.561 1.467 -0.496 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.710 0.231 -0.457 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.316 0.284 -0.665 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.530 1.370 -0.942 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -0.716 0.924 -1.007 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.749 -0.449 -0.846 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.547 -0.870 -0.592 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.116 -2.115 -0.318 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.500 -2.158 -0.096 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.306 -1.012 -0.150 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.632 -2.886 1.597 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.897 -1.348 -0.940 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.994 -1.071 0.093 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -4.070 -2.169 0.097 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.287 -2.812 -1.286 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.914 -1.869 -2.427 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.437 -1.475 -2.377 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -5.367 -1.571 0.615 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -6.199 -1.022 -0.090 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.500 -1.655 1.956 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.761 -2.087 2.421 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.160 -2.667 2.229 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.578 -1.775 1.277 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.893 1.836 -1.250 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -2.464 2.487 -0.004 0.00 0.00 -0.009 A ATOM 31 C LIG 1 -3.846 2.712 0.092 0.00 0.00 +0.045 A ATOM 32 C LIG 1 -4.385 3.323 1.223 0.00 0.00 +0.127 A ATOM 33 F LIG 1 -5.711 3.514 1.286 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -3.577 3.741 2.282 0.00 0.00 -0.015 A ATOM 35 C LIG 1 -4.190 4.395 3.482 0.00 0.00 +0.047 C ATOM 36 C LIG 1 -2.198 3.541 2.186 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -1.648 2.927 1.054 0.00 0.00 +0.007 A ENDBRANCH 29 30 BRANCH 29 38 ATOM 38 O LIG 1 -1.436 2.883 -2.109 0.00 0.00 -0.379 OA ATOM 39 H LIG 1 -0.470 2.927 -1.964 0.00 0.00 +0.211 HD ENDBRANCH 29 38 ENDBRANCH 10 29 TORSDOF 7