REMARK Name = BDB056891 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.390 -0.799 1.580 0.00 0.00 +0.012 A ATOM 2 C LIG 1 1.651 -0.422 1.040 0.00 0.00 +0.009 A ATOM 3 C LIG 1 2.828 -0.903 1.653 0.00 0.00 -0.014 A ATOM 4 C LIG 1 4.078 -0.548 1.127 0.00 0.00 +0.037 A ATOM 5 C LIG 1 4.136 0.265 0.004 0.00 0.00 +0.075 A ATOM 6 N LIG 1 3.038 0.749 -0.611 0.00 0.00 -0.254 NA ATOM 7 C LIG 1 2.738 -1.734 2.781 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.499 -2.093 3.308 0.00 0.00 +0.001 A ATOM 9 C LIG 1 1.837 0.402 -0.083 0.00 0.00 +0.120 A ATOM 10 C LIG 1 0.331 -1.629 2.711 0.00 0.00 +0.011 A ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -4.475 -4.726 -1.721 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -3.238 -4.293 -0.977 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -3.198 -2.986 -0.509 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -2.009 -2.627 0.287 0.00 0.00 +0.146 C ATOM 15 C LIG 1 -1.901 -1.149 0.432 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.868 -0.354 0.986 0.00 0.00 +0.098 A ATOM 17 N LIG 1 -1.180 0.949 0.911 0.00 0.00 -0.170 NA ATOM 18 N LIG 1 -2.390 0.994 0.314 0.00 0.00 -0.264 N ATOM 19 C LIG 1 -2.862 -0.251 0.017 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -4.125 -0.647 -0.654 0.00 0.00 +0.074 C ATOM 21 C LIG 1 -4.400 -2.137 -0.357 0.00 0.00 +0.114 C ATOM 22 O LIG 1 -2.309 -5.084 -0.810 0.00 0.00 -0.276 OA BRANCH 18 23 ATOM 23 C LIG 1 -2.990 2.305 0.104 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -3.376 2.583 -1.351 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -3.998 3.966 -1.462 0.00 0.00 +0.162 C ATOM 26 O LIG 1 -5.116 4.075 -0.582 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -4.742 3.950 0.790 0.00 0.00 +0.162 C ATOM 28 C LIG 1 -4.159 2.570 1.057 0.00 0.00 +0.055 C ENDBRANCH 18 23 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 5.403 0.649 -0.582 0.00 0.00 +0.046 A ATOM 30 C LIG 1 6.506 -0.128 -1.040 0.00 0.00 +0.137 A ATOM 31 N LIG 1 7.478 0.662 -1.537 0.00 0.00 -0.170 NA ATOM 32 N LIG 1 6.989 1.908 -1.415 0.00 0.00 -0.273 N ATOM 33 C LIG 1 7.778 3.026 -1.872 0.00 0.00 +0.172 C ATOM 34 C LIG 1 5.748 1.954 -0.862 0.00 0.00 +0.118 A BRANCH 30 35 ATOM 35 C LIG 1 6.611 -1.624 -1.051 0.00 0.00 +0.392 C ATOM 36 F LIG 1 7.810 -2.075 -1.515 0.00 0.00 -0.202 F ATOM 37 F LIG 1 6.485 -2.140 0.206 0.00 0.00 -0.202 F ENDBRANCH 30 35 ENDBRANCH 5 29 TORSDOF 4