REMARK Name = BDB003462 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.901 -1.085 1.530 0.00 0.00 -0.256 N ATOM 2 C LIG 1 -2.010 -0.358 1.161 0.00 0.00 +0.108 A ATOM 3 C LIG 1 -2.435 0.291 2.318 0.00 0.00 +0.041 A ATOM 4 C LIG 1 -3.557 1.123 2.268 0.00 0.00 +0.123 A ATOM 5 N LIG 1 -4.234 1.287 1.103 0.00 0.00 -0.251 NA ATOM 6 C LIG 1 -3.804 0.646 -0.019 0.00 0.00 +0.115 A ATOM 7 C LIG 1 -1.527 -0.126 3.312 0.00 0.00 +0.144 A ATOM 8 C LIG 1 -2.688 -0.190 -0.044 0.00 0.00 +0.175 A ATOM 9 F LIG 1 -2.301 -0.811 -1.166 0.00 0.00 -0.201 F ATOM 10 N LIG 1 -0.624 -0.993 2.853 0.00 0.00 -0.178 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -4.607 0.879 -1.215 0.00 0.00 +0.086 A ATOM 12 C LIG 1 -5.646 0.028 -1.601 0.00 0.00 +0.060 A ATOM 13 N LIG 1 -6.371 0.266 -2.724 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -6.073 1.361 -3.434 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -5.105 2.238 -3.157 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 -4.388 1.970 -2.048 0.00 0.00 +0.227 A BRANCH 12 17 ATOM 17 C LIG 1 -6.006 -1.216 -0.804 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -7.454 -1.609 -0.619 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -6.678 -1.075 0.545 0.00 0.00 +0.010 C ENDBRANCH 12 17 BRANCH 16 20 ATOM 20 O LIG 1 -3.325 2.803 -1.734 0.00 0.00 -0.479 OA ATOM 21 C LIG 1 -3.250 3.971 -2.549 0.00 0.00 +0.279 C ENDBRANCH 16 20 ENDBRANCH 6 11 BRANCH 1 22 ATOM 22 C LIG 1 -0.103 -1.971 0.686 0.00 0.00 +0.179 C BRANCH 22 26 ATOM 23 C LIG 1 4.140 -1.044 0.625 0.00 0.00 +0.017 A ATOM 24 C LIG 1 3.196 -0.045 0.364 0.00 0.00 +0.012 A ATOM 25 C LIG 1 1.826 -0.335 0.372 0.00 0.00 +0.006 A ATOM 26 C LIG 1 1.370 -1.627 0.674 0.00 0.00 -0.026 A ATOM 27 C LIG 1 2.316 -2.624 0.951 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.683 -2.333 0.932 0.00 0.00 +0.012 A BRANCH 23 30 ATOM 29 N LIG 1 6.309 -0.091 -0.308 0.00 0.00 -0.318 N ATOM 30 C LIG 1 5.584 -0.785 0.640 0.00 0.00 +0.142 A ATOM 31 N LIG 1 6.405 -1.257 1.567 0.00 0.00 -0.224 NA ATOM 32 C LIG 1 7.681 -0.816 1.255 0.00 0.00 +0.162 A ATOM 33 C LIG 1 7.628 -0.086 0.082 0.00 0.00 +0.121 A BRANCH 32 34 ATOM 34 C LIG 1 8.875 -1.154 2.101 0.00 0.00 +0.436 C ATOM 35 F LIG 1 8.680 -0.892 3.420 0.00 0.00 -0.164 F ATOM 36 F LIG 1 9.977 -0.445 1.726 0.00 0.00 -0.164 F ATOM 37 F LIG 1 9.216 -2.467 2.001 0.00 0.00 -0.164 F ENDBRANCH 32 34 BRANCH 29 38 ATOM 38 C LIG 1 5.835 0.448 -1.576 0.00 0.00 +0.211 C BRANCH 38 40 ATOM 39 C LIG 1 5.485 3.094 -1.478 0.00 0.00 +0.005 C ATOM 40 C LIG 1 5.638 1.903 -1.523 0.00 0.00 -0.084 C ENDBRANCH 38 40 ENDBRANCH 29 38 ENDBRANCH 23 30 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 9