REMARK Name = BDB035321 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.465 0.887 -1.044 0.00 0.00 +0.142 A ATOM 2 N LIG 1 1.211 2.134 -1.491 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 2.213 3.031 -1.668 0.00 0.00 +0.047 A ATOM 4 C LIG 1 3.530 2.666 -1.403 0.00 0.00 +0.032 A ATOM 5 C LIG 1 3.834 1.373 -0.970 0.00 0.00 -0.012 A ATOM 6 C LIG 1 2.774 0.477 -0.800 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 -3.706 -1.988 -0.996 0.00 0.00 +0.036 A ATOM 8 N LIG 1 -3.078 -0.943 -1.652 0.00 0.00 -0.351 N ATOM 9 H LIG 1 -3.478 -0.368 -2.384 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 -1.812 -0.789 -1.160 0.00 0.00 +0.131 A ATOM 11 C LIG 1 -1.622 -1.745 -0.211 0.00 0.00 +0.096 A ATOM 12 N LIG 1 -0.438 -1.877 0.500 0.00 0.00 -0.235 NA ATOM 13 C LIG 1 0.453 -0.989 0.161 0.00 0.00 +0.209 A ATOM 14 N LIG 1 0.366 0.004 -0.814 0.00 0.00 -0.250 N ATOM 15 C LIG 1 -0.818 0.166 -1.546 0.00 0.00 +0.284 A ATOM 16 O LIG 1 -1.036 0.950 -2.463 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 -2.786 -2.512 -0.093 0.00 0.00 +0.052 A BRANCH 7 19 ATOM 18 C LIG 1 -5.425 -2.437 -2.794 0.00 0.00 +0.031 C ATOM 19 C LIG 1 -5.118 -2.420 -1.290 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 N LIG 1 -6.140 -1.671 -0.549 0.00 0.00 -0.290 NA ATOM 21 C LIG 1 -6.199 -2.013 0.884 0.00 0.00 +0.116 C ATOM 22 C LIG 1 -7.120 -1.040 1.652 0.00 0.00 +0.129 C ATOM 23 C LIG 1 -7.248 -1.441 3.116 0.00 0.00 +0.039 C ATOM 24 O LIG 1 -6.641 0.316 1.618 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 -5.824 0.601 0.475 0.00 0.00 +0.175 C ATOM 26 C LIG 1 -6.214 -0.218 -0.766 0.00 0.00 +0.113 C ENDBRANCH 19 20 ENDBRANCH 7 19 ENDBRANCH 1 14 BRANCH 5 27 ATOM 27 C LIG 1 5.229 0.967 -0.715 0.00 0.00 -0.005 A ATOM 28 C LIG 1 5.690 0.509 0.541 0.00 0.00 +0.047 A ATOM 29 C LIG 1 7.030 0.137 0.726 0.00 0.00 +0.052 A ATOM 30 C LIG 1 7.911 0.199 -0.343 0.00 0.00 +0.124 A ATOM 31 F LIG 1 9.188 -0.161 -0.167 0.00 0.00 -0.205 F ATOM 32 C LIG 1 7.488 0.631 -1.592 0.00 0.00 +0.039 A ATOM 33 C LIG 1 6.157 1.015 -1.776 0.00 0.00 +0.012 A BRANCH 28 34 ATOM 34 C LIG 1 4.792 0.460 1.721 0.00 0.00 +0.247 C ATOM 35 N LIG 1 4.718 -0.734 2.392 0.00 0.00 -0.292 N ATOM 36 C LIG 1 5.026 -2.099 2.012 0.00 0.00 +0.146 C ATOM 37 C LIG 1 3.835 -2.536 2.882 0.00 0.00 +0.200 C ATOM 38 F LIG 1 4.081 -3.531 3.766 0.00 0.00 -0.242 F ATOM 39 C LIG 1 3.798 -1.110 3.453 0.00 0.00 +0.146 C ATOM 40 O LIG 1 4.161 1.456 2.053 0.00 0.00 -0.270 OA ENDBRANCH 28 34 ENDBRANCH 5 27 BRANCH 3 41 ATOM 41 C LIG 1 1.807 4.410 -2.152 0.00 0.00 +0.038 C ATOM 42 C LIG 1 2.437 5.660 -1.586 0.00 0.00 +0.010 C ATOM 43 C LIG 1 2.707 5.266 -3.010 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 6