REMARK Name = BDB024366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.595 0.173 1.556 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.983 -0.303 0.155 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -1.547 -1.567 -0.085 0.00 0.00 +0.018 A ATOM 4 C LIG 1 -1.944 -1.954 -1.377 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -1.776 -1.055 -2.440 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -1.217 0.201 -2.219 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.828 0.574 -0.932 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 C LIG 1 -2.596 -3.295 -1.603 0.00 0.00 +0.417 C ATOM 9 F LIG 1 -3.945 -3.247 -1.415 0.00 0.00 -0.166 F ATOM 10 F LIG 1 -2.414 -3.776 -2.865 0.00 0.00 -0.166 F ATOM 11 F LIG 1 -2.136 -4.266 -0.766 0.00 0.00 -0.166 F ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 14 ATOM 12 N LIG 1 1.217 -1.371 2.490 0.00 0.00 -0.269 N ATOM 13 H LIG 1 1.381 -2.091 3.179 0.00 0.00 +0.156 HD ATOM 14 C LIG 1 -0.085 -0.955 2.498 0.00 0.00 +0.240 C ATOM 15 O LIG 1 -0.826 -1.559 3.286 0.00 0.00 -0.273 OA BRANCH 12 19 ATOM 16 C LIG 1 4.471 -0.417 0.062 0.00 0.00 +0.003 A ATOM 17 C LIG 1 3.214 0.154 -0.098 0.00 0.00 +0.121 A ATOM 18 N LIG 1 2.134 -0.123 0.680 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 2.285 -1.017 1.667 0.00 0.00 +0.125 A ATOM 20 C LIG 1 3.504 -1.645 1.905 0.00 0.00 +0.044 A ATOM 21 C LIG 1 4.603 -1.342 1.097 0.00 0.00 +0.013 A BRANCH 16 26 ATOM 22 C LIG 1 7.531 1.991 -3.022 0.00 0.00 +0.172 C ATOM 23 N LIG 1 6.933 1.000 -2.160 0.00 0.00 -0.274 N ATOM 24 N LIG 1 7.571 -0.163 -1.949 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 6.755 -0.822 -1.121 0.00 0.00 +0.143 A ATOM 26 C LIG 1 5.590 -0.086 -0.798 0.00 0.00 +0.021 A ATOM 27 C LIG 1 5.745 1.097 -1.494 0.00 0.00 +0.116 A ENDBRANCH 16 26 ENDBRANCH 12 19 ENDBRANCH 1 14 BRANCH 1 28 ATOM 28 N LIG 1 -1.680 1.009 2.160 0.00 0.00 -0.302 NA ATOM 29 H LIG 1 -1.955 1.679 1.444 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -2.868 0.271 2.610 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 C LIG 1 -4.168 1.071 2.397 0.00 0.00 +0.050 C BRANCH 31 32 ATOM 32 C LIG 1 -4.530 1.218 0.934 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -4.989 0.112 0.205 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.258 0.224 -1.160 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.073 1.447 -1.811 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -4.636 2.560 -1.086 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -4.368 2.447 0.280 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -5.315 1.555 -3.219 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -5.498 1.643 -4.362 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 10