REMARK Name = BDB029320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.613 -0.063 -0.630 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.622 -0.661 -1.913 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.432 -0.878 -2.636 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.239 -0.476 -2.041 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.162 -0.576 -2.550 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.957 0.024 -1.487 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.151 0.429 -0.417 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.438 0.938 0.651 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.236 0.113 -0.783 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.393 0.330 -0.058 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.370 0.157 -1.581 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.116 0.829 -0.599 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.523 0.978 -0.652 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -5.168 0.388 -1.753 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.456 -0.276 -2.749 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.068 -0.383 -2.667 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.338 1.752 0.519 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -4.744 3.146 0.958 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.681 3.808 -0.080 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -6.609 2.586 0.101 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -6.235 5.087 0.301 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -6.671 6.117 0.610 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.563 0.811 1.720 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -6.411 -0.361 1.363 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -5.988 -1.664 1.312 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -4.677 -2.178 1.605 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -7.064 -2.396 0.916 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -8.092 -1.602 0.736 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -7.684 -0.322 1.022 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 2.439 -1.518 -3.998 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.676 -1.893 -4.422 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.669 -2.640 -4.043 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.944 -0.690 -4.957 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 4.909 0.156 0.129 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 7.797 1.373 1.363 0.00 0.00 +0.011 C ATOM 36 C LIG 1 7.447 0.001 1.946 0.00 0.00 +0.026 C ATOM 37 C LIG 1 5.960 -0.121 2.341 0.00 0.00 +0.090 C ATOM 38 N LIG 1 4.970 -0.602 1.375 0.00 0.00 -0.296 NA ATOM 39 C LIG 1 5.015 -2.064 1.226 0.00 0.00 +0.113 C ATOM 40 C LIG 1 6.273 -2.676 0.599 0.00 0.00 +0.175 C ATOM 41 O LIG 1 7.460 -2.389 1.340 0.00 0.00 -0.378 OA ATOM 42 C LIG 1 7.995 -1.106 1.042 0.00 0.00 +0.164 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 8