REMARK Name = BDB019614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.459 -2.064 0.806 0.00 0.00 -0.015 A ATOM 2 C LIG 1 -0.628 -1.482 1.474 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.652 -0.108 1.744 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.432 0.698 1.373 0.00 0.00 +0.018 A ATOM 5 C LIG 1 1.538 0.134 0.721 0.00 0.00 -0.029 A ATOM 6 C LIG 1 1.534 -1.241 0.435 0.00 0.00 +0.013 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 0.083 -3.143 -1.971 0.00 0.00 +0.066 C ATOM 8 C LIG 1 0.315 -4.030 -0.780 0.00 0.00 +0.049 A ATOM 9 C LIG 1 0.476 -3.503 0.514 0.00 0.00 +0.003 A ATOM 10 C LIG 1 0.660 -4.420 1.560 0.00 0.00 +0.014 A ATOM 11 C LIG 1 0.689 -5.786 1.298 0.00 0.00 +0.060 A ATOM 12 C LIG 1 0.536 -6.200 -0.009 0.00 0.00 +0.213 A ATOM 13 F LIG 1 0.571 -7.515 -0.271 0.00 0.00 -0.184 F ATOM 14 N LIG 1 0.354 -5.362 -1.048 0.00 0.00 -0.224 NA ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 -1.836 0.450 2.450 0.00 0.00 +0.244 C ATOM 16 N LIG 1 -2.176 1.749 2.136 0.00 0.00 -0.307 N ATOM 17 H LIG 1 -1.762 2.179 1.321 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 -2.466 -0.249 3.235 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 -3.387 2.350 2.649 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 -4.508 2.232 1.646 0.00 0.00 -0.029 A ATOM 21 C LIG 1 -5.249 1.043 1.553 0.00 0.00 +0.026 A ATOM 22 C LIG 1 -6.273 0.910 0.609 0.00 0.00 +0.060 A ATOM 23 CL LIG 1 -7.135 -0.586 0.561 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 -6.562 1.971 -0.255 0.00 0.00 +0.059 A ATOM 25 CL LIG 1 -7.811 1.884 -1.446 0.00 0.00 -0.082 Cl ATOM 26 C LIG 1 -5.824 3.156 -0.172 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -4.801 3.285 0.770 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 28 ATOM 28 C LIG 1 2.705 0.993 0.297 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 2.579 1.298 -1.119 0.00 0.00 -0.315 N ATOM 30 H LIG 1 1.650 1.670 -1.305 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 3.484 2.115 -1.707 0.00 0.00 +0.175 C ATOM 32 N LIG 1 4.810 1.775 -1.711 0.00 0.00 -0.299 N ATOM 33 C LIG 1 5.252 0.418 -1.986 0.00 0.00 +0.132 C ATOM 34 C LIG 1 5.492 2.833 -2.470 0.00 0.00 +0.205 C ATOM 35 C LIG 1 4.327 3.777 -2.771 0.00 0.00 +0.256 C ATOM 36 O LIG 1 4.432 4.844 -3.360 0.00 0.00 -0.272 OA ATOM 37 N LIG 1 3.153 3.232 -2.284 0.00 0.00 -0.150 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7