REMARK Name = BDB005332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.672 0.908 0.409 0.00 0.00 +0.146 A ATOM 2 N LIG 1 0.812 -0.106 -0.046 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.418 0.476 -0.120 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.810 0.163 -0.510 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.426 1.527 -0.370 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.506 2.489 0.137 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.669 3.671 0.391 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.261 1.771 0.260 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.010 2.041 0.624 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 4.057 0.472 -0.439 0.00 0.00 +0.147 A ATOM 11 C LIG 1 3.066 0.669 0.621 0.00 0.00 +0.066 A ATOM 12 C LIG 1 3.472 0.715 1.902 0.00 0.00 +0.085 A ATOM 13 C LIG 1 4.894 0.519 2.269 0.00 0.00 +0.252 A ATOM 14 O LIG 1 5.212 0.522 3.455 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 5.776 0.333 1.210 0.00 0.00 -0.315 N ATOM 16 C LIG 1 7.193 0.157 1.488 0.00 0.00 +0.152 C ATOM 17 C LIG 1 5.352 0.318 -0.109 0.00 0.00 +0.135 A BRANCH 10 19 ATOM 18 C LIG 1 4.434 0.426 -2.806 0.00 0.00 +0.277 C ATOM 19 O LIG 1 3.528 0.468 -1.711 0.00 0.00 -0.493 OA ENDBRANCH 10 19 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 -3.775 1.812 -0.751 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -4.402 3.017 -0.395 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -5.725 3.284 -0.769 0.00 0.00 +0.078 A ATOM 23 CL LIG 1 -6.458 4.771 -0.299 0.00 0.00 -0.081 Cl ATOM 24 C LIG 1 -6.441 2.351 -1.507 0.00 0.00 +0.142 A ATOM 25 F LIG 1 -7.708 2.584 -1.877 0.00 0.00 -0.204 F ATOM 26 C LIG 1 -5.846 1.154 -1.877 0.00 0.00 +0.041 A ATOM 27 C LIG 1 -4.524 0.889 -1.502 0.00 0.00 +0.026 A ENDBRANCH 5 20 BRANCH 4 28 ATOM 28 C LIG 1 -2.473 -0.864 0.397 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -2.629 -0.637 1.778 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -3.241 -1.591 2.596 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -3.705 -2.781 2.044 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 -4.456 -3.957 3.050 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -3.564 -3.026 0.681 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -2.951 -2.074 -0.138 0.00 0.00 +0.007 A ENDBRANCH 4 28 BRANCH 2 35 ATOM 35 C LIG 1 1.178 -1.488 -0.343 0.00 0.00 +0.083 C ATOM 36 C LIG 1 0.646 -1.977 -1.690 0.00 0.00 +0.030 C ATOM 37 C LIG 1 0.813 -2.435 0.799 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 5