REMARK Name = BDB043051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.594 0.108 -0.249 0.00 0.00 +0.124 A ATOM 2 N LIG 1 -1.761 1.375 0.033 0.00 0.00 -0.213 NA ATOM 3 C LIG 1 -0.650 2.167 0.072 0.00 0.00 +0.163 A ATOM 4 N LIG 1 0.641 1.674 -0.172 0.00 0.00 -0.200 N ATOM 5 N LIG 1 1.575 2.677 -0.067 0.00 0.00 -0.171 NA ATOM 6 C LIG 1 0.869 3.767 0.230 0.00 0.00 +0.141 A ATOM 7 C LIG 1 0.843 0.298 -0.472 0.00 0.00 +0.126 A ATOM 8 C LIG 1 -0.499 3.509 0.328 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -0.245 -0.493 -0.515 0.00 0.00 +0.087 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.646 4.491 0.653 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -1.648 5.865 0.036 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -1.392 5.705 1.507 0.00 0.00 +0.009 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -2.690 -0.730 -0.304 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -2.559 -1.594 -0.820 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -4.049 -0.209 -0.349 0.00 0.00 +0.109 C BRANCH 15 17 ATOM 16 C LIG 1 -6.512 -0.830 -0.251 0.00 0.00 +0.133 C ATOM 17 C LIG 1 -5.067 -1.332 -0.106 0.00 0.00 +0.037 C ATOM 18 C LIG 1 -4.862 -1.996 1.274 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -6.170 -2.410 1.952 0.00 0.00 +0.081 C ATOM 20 N LIG 1 -7.116 -2.975 0.998 0.00 0.00 -0.314 NA ATOM 21 H LIG 1 -6.683 -3.774 0.533 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 -7.506 -1.991 -0.023 0.00 0.00 +0.112 C BRANCH 16 23 ATOM 23 O LIG 1 -6.725 -0.299 -1.558 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -6.566 0.660 -1.522 0.00 0.00 +0.210 HD ENDBRANCH 16 23 ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 N LIG 1 2.116 -0.219 -0.720 0.00 0.00 -0.323 N ATOM 26 H LIG 1 2.195 -1.235 -0.706 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.392 0.410 -0.396 0.00 0.00 +0.160 C BRANCH 27 28 ATOM 28 C LIG 1 4.573 -0.515 -0.522 0.00 0.00 +0.077 A ATOM 29 N LIG 1 4.403 -1.886 -0.488 0.00 0.00 -0.231 NA ATOM 30 C LIG 1 5.609 -2.395 -0.624 0.00 0.00 +0.138 A ATOM 31 N LIG 1 6.581 -1.401 -0.747 0.00 0.00 -0.295 N ATOM 32 C LIG 1 7.947 -1.675 -0.905 0.00 0.00 +0.128 A ATOM 33 C LIG 1 8.338 -2.969 -0.939 0.00 0.00 +0.031 A ATOM 34 C LIG 1 7.350 -4.026 -0.813 0.00 0.00 +0.006 A ATOM 35 C LIG 1 6.043 -3.748 -0.662 0.00 0.00 +0.047 A ATOM 36 C LIG 1 5.908 -0.203 -0.678 0.00 0.00 +0.118 A BRANCH 32 37 ATOM 37 C LIG 1 8.891 -0.530 -1.026 0.00 0.00 +0.433 C ATOM 38 F LIG 1 8.611 0.251 -2.099 0.00 0.00 -0.164 F ATOM 39 F LIG 1 8.862 0.273 0.068 0.00 0.00 -0.164 F ATOM 40 F LIG 1 10.181 -0.934 -1.170 0.00 0.00 -0.164 F ENDBRANCH 32 37 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 7 25 TORSDOF 9