REMARK Name = BDB013462 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.391 1.073 -0.859 0.00 0.00 +0.060 C ENDROOT BRANCH 1 9 ATOM 2 C LIG 1 -5.992 0.219 0.312 0.00 0.00 +0.147 A ATOM 3 C LIG 1 -6.373 -0.617 -0.736 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -5.544 -0.936 -1.801 0.00 0.00 +0.119 A ATOM 5 N LIG 1 -6.208 -1.780 -2.658 0.00 0.00 -0.129 NA ATOM 6 N LIG 1 -7.420 -2.000 -2.170 0.00 0.00 -0.065 NA ATOM 7 C LIG 1 -4.235 -0.410 -1.881 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -3.344 -0.779 -3.037 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -3.809 0.467 -0.837 0.00 0.00 -0.031 A ATOM 10 N LIG 1 -7.520 -1.309 -1.020 0.00 0.00 -0.243 N ATOM 11 C LIG 1 -8.736 -1.359 -0.253 0.00 0.00 +0.175 C ATOM 12 C LIG 1 -4.699 0.754 0.224 0.00 0.00 +0.052 A BRANCH 2 14 ATOM 13 C LIG 1 -6.400 1.117 2.474 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -6.891 0.454 1.313 0.00 0.00 -0.493 OA ENDBRANCH 2 14 ENDBRANCH 1 9 BRANCH 1 15 ATOM 15 C LIG 1 -1.281 0.092 -0.488 0.00 0.00 -0.039 A ATOM 16 C LIG 1 -0.031 0.190 -1.121 0.00 0.00 +0.009 A ATOM 17 C LIG 1 1.042 -0.659 -0.783 0.00 0.00 -0.027 A ATOM 18 C LIG 1 0.852 -1.639 0.211 0.00 0.00 -0.046 A ATOM 19 C LIG 1 1.953 -2.571 0.639 0.00 0.00 +0.044 C ATOM 20 C LIG 1 -0.393 -1.728 0.851 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -1.444 -0.875 0.510 0.00 0.00 +0.004 A BRANCH 17 22 ATOM 22 C LIG 1 2.372 -0.458 -1.485 0.00 0.00 +0.146 C BRANCH 22 23 ATOM 23 N LIG 1 3.354 0.250 -0.672 0.00 0.00 -0.266 N ATOM 24 C LIG 1 4.546 -0.377 -0.360 0.00 0.00 +0.403 C ATOM 25 O LIG 1 4.869 -1.484 -0.775 0.00 0.00 -0.226 OA ATOM 26 C LIG 1 3.007 1.576 -0.181 0.00 0.00 +0.136 C BRANCH 24 27 ATOM 27 O LIG 1 5.325 0.367 0.471 0.00 0.00 -0.447 OA BRANCH 27 28 ATOM 28 C LIG 1 6.575 -0.218 0.837 0.00 0.00 +0.178 C ATOM 29 C LIG 1 7.630 -0.055 -0.252 0.00 0.00 +0.045 C ATOM 30 C LIG 1 8.963 -0.130 0.486 0.00 0.00 +0.004 C ATOM 31 C LIG 1 8.658 0.181 1.952 0.00 0.00 +0.004 C ATOM 32 C LIG 1 7.186 0.564 1.993 0.00 0.00 +0.045 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 1 15 BRANCH 1 33 ATOM 33 C LIG 1 -2.194 2.441 -0.168 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 -1.772 2.369 1.276 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -2.465 2.048 2.227 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -0.484 2.722 1.460 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -0.331 2.579 2.418 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 10