REMARK Name = BDB026353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.420 0.423 -0.840 0.00 0.00 -0.324 N ATOM 2 C LIG 1 2.001 1.822 -1.055 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.711 1.911 -1.901 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.440 1.139 -1.395 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.004 -0.117 -0.741 0.00 0.00 +0.103 C ATOM 6 C LIG 1 1.412 -0.607 -1.158 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.482 -0.507 -0.579 0.00 0.00 +0.129 A ATOM 8 N LIG 1 5.660 -1.450 -1.097 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 4.348 -1.118 -1.168 0.00 0.00 +0.235 A ATOM 10 F LIG 1 3.563 -2.062 -1.715 0.00 0.00 -0.182 F ATOM 11 C LIG 1 3.775 0.109 -0.765 0.00 0.00 +0.085 A ATOM 12 C LIG 1 4.690 1.029 -0.230 0.00 0.00 +0.030 A ATOM 13 C LIG 1 6.049 0.731 -0.134 0.00 0.00 +0.035 A BRANCH 7 17 ATOM 14 C LIG 1 9.560 -2.676 -0.890 0.00 0.00 +0.128 C ATOM 15 N LIG 1 8.245 -2.107 -1.004 0.00 0.00 -0.313 N ATOM 16 H LIG 1 7.455 -2.691 -1.272 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 7.935 -0.864 -0.496 0.00 0.00 +0.262 C ATOM 18 O LIG 1 8.753 -0.097 -0.002 0.00 0.00 -0.269 OA ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 4 19 ATOM 19 C LIG 1 -1.284 1.944 -0.502 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 C LIG 1 -2.623 1.294 -0.218 0.00 0.00 -0.031 A ATOM 21 C LIG 1 -2.930 0.803 1.060 0.00 0.00 +0.032 A ATOM 22 C LIG 1 -4.175 0.217 1.297 0.00 0.00 +0.068 A ATOM 23 C LIG 1 -5.136 0.110 0.279 0.00 0.00 +0.088 A ATOM 24 N LIG 1 -6.408 -0.452 0.496 0.00 0.00 -0.244 NA ATOM 25 C LIG 1 -6.682 -0.901 1.687 0.00 0.00 +0.115 A ATOM 26 C LIG 1 -5.679 -0.878 2.838 0.00 0.00 +0.271 A ATOM 27 O LIG 1 -5.958 -1.386 3.912 0.00 0.00 -0.266 OA ATOM 28 C LIG 1 -4.823 0.593 -0.991 0.00 0.00 +0.030 A ATOM 29 N LIG 1 -4.476 -0.280 2.569 0.00 0.00 -0.319 N ATOM 30 H LIG 1 -3.799 -0.244 3.319 0.00 0.00 +0.169 HD ATOM 31 C LIG 1 -3.577 1.176 -1.240 0.00 0.00 +0.007 A BRANCH 25 32 ATOM 32 C LIG 1 -8.038 -1.462 1.984 0.00 0.00 +0.174 C BRANCH 32 33 ATOM 33 C LIG 1 -8.860 -0.388 2.638 0.00 0.00 +0.396 C ATOM 34 F LIG 1 -9.110 0.634 1.791 0.00 0.00 -0.170 F ATOM 35 F LIG 1 -8.272 0.126 3.736 0.00 0.00 -0.170 F ATOM 36 F LIG 1 -10.058 -0.891 3.022 0.00 0.00 -0.170 F ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 6