REMARK Name = BDB010192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.542 -1.059 -1.143 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.158 -0.993 -1.024 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.646 -1.476 -2.044 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.968 -1.393 -1.728 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -2.012 -0.844 -0.538 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -0.182 -1.986 -3.194 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.154 -1.962 -3.264 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.744 -0.495 -0.108 0.00 0.00 -0.303 N ATOM 9 N LIG 1 2.016 -1.535 -2.311 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.122 -0.575 0.208 0.00 0.00 -0.295 N ATOM 11 C LIG 1 -4.400 -0.486 -0.538 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -4.904 -1.937 -0.611 0.00 0.00 +0.024 C ATOM 13 C LIG 1 -4.252 -2.635 0.587 0.00 0.00 +0.024 C ATOM 14 C LIG 1 -5.335 0.397 0.314 0.00 0.00 +0.022 C ATOM 15 C LIG 1 -5.560 -0.177 1.720 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -4.275 -0.763 2.324 0.00 0.00 +0.022 C ATOM 17 C LIG 1 -3.437 -1.537 1.287 0.00 0.00 +0.077 C ENDBRANCH 5 10 BRANCH 1 18 ATOM 18 N LIG 1 2.415 -0.682 -0.128 0.00 0.00 -0.324 N ATOM 19 H LIG 1 2.090 -0.997 0.778 0.00 0.00 +0.148 HD BRANCH 18 21 ATOM 20 C LIG 1 4.193 -2.374 -0.017 0.00 0.00 +0.028 C ATOM 21 C LIG 1 3.852 -0.917 -0.330 0.00 0.00 +0.072 C BRANCH 21 22 ATOM 22 C LIG 1 4.623 0.085 0.554 0.00 0.00 +0.009 C ATOM 23 C LIG 1 4.604 -0.056 2.099 0.00 0.00 +0.005 C ATOM 24 C LIG 1 6.033 -0.622 2.032 0.00 0.00 +0.001 C ATOM 25 C LIG 1 6.170 -0.007 0.628 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 1 18 BRANCH 7 26 ATOM 26 C LIG 1 1.753 -2.495 -4.539 0.00 0.00 +0.375 C ATOM 27 O LIG 1 1.155 -2.927 -5.510 0.00 0.00 -0.242 OA BRANCH 26 28 ATOM 28 O LIG 1 3.108 -2.469 -4.549 0.00 0.00 -0.475 OA ATOM 29 H LIG 1 3.337 -2.833 -5.429 0.00 0.00 +0.296 HD ENDBRANCH 26 28 ENDBRANCH 7 26 BRANCH 8 30 ATOM 30 C LIG 1 -0.456 0.346 1.042 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 C LIG 1 -0.391 1.809 0.671 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -1.563 2.576 0.608 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -1.515 3.926 0.254 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -0.291 4.543 -0.041 0.00 0.00 +0.055 A ATOM 35 C LIG 1 0.880 3.774 0.010 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.831 2.423 0.364 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -0.239 5.994 -0.447 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -0.352 6.163 -1.793 0.00 0.00 -0.166 F ATOM 39 F LIG 1 0.924 6.608 -0.089 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.235 6.741 0.109 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 9