REMARK Name = BDB020767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.972 1.264 0.264 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.321 -0.027 0.013 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -1.203 -1.067 -0.638 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.996 -0.184 0.349 0.00 0.00 +0.044 A ATOM 5 N LIG 1 1.675 0.945 0.903 0.00 0.00 -0.318 N ATOM 6 C LIG 1 1.047 2.172 1.171 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.955 3.043 1.756 0.00 0.00 +0.027 A ATOM 8 C LIG 1 3.195 2.364 1.793 0.00 0.00 +0.030 A ATOM 9 C LIG 1 2.999 1.110 1.263 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.325 2.302 0.817 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.655 4.397 2.200 0.00 0.00 +0.095 A ATOM 12 N LIG 1 0.460 4.607 2.794 0.00 0.00 -0.149 NA ATOM 13 N LIG 1 0.126 5.857 3.251 0.00 0.00 -0.154 NA ATOM 14 C LIG 1 0.995 6.880 3.113 0.00 0.00 +0.061 A ATOM 15 C LIG 1 0.580 8.221 3.628 0.00 0.00 +0.067 C ATOM 16 C LIG 1 2.232 6.695 2.514 0.00 0.00 +0.027 A ATOM 17 C LIG 1 2.570 5.427 2.050 0.00 0.00 +0.032 A ENDBRANCH 7 11 BRANCH 1 20 ATOM 18 N LIG 1 -3.224 1.217 1.034 0.00 0.00 -0.307 N ATOM 19 H LIG 1 -2.818 0.838 1.884 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -2.412 1.502 -0.032 0.00 0.00 +0.245 C ATOM 21 O LIG 1 -2.792 1.882 -1.131 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.667 1.212 0.943 0.00 0.00 +0.149 C BRANCH 22 24 ATOM 23 C LIG 1 -5.836 -0.647 -0.302 0.00 0.00 +0.132 A ATOM 24 C LIG 1 -5.152 -0.191 0.763 0.00 0.00 +0.075 A ATOM 25 C LIG 1 -4.886 -1.149 1.877 0.00 0.00 +0.257 A ATOM 26 O LIG 1 -4.248 -0.825 2.876 0.00 0.00 -0.267 OA ATOM 27 N LIG 1 -5.383 -2.421 1.730 0.00 0.00 -0.326 N ATOM 28 H LIG 1 -5.198 -3.049 2.503 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 -6.104 -2.856 0.645 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -6.591 -4.271 0.667 0.00 0.00 +0.063 C ATOM 31 C LIG 1 -6.341 -2.001 -0.361 0.00 0.00 +0.067 A BRANCH 23 33 ATOM 32 C LIG 1 -5.364 -0.024 -2.487 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -6.205 0.170 -1.349 0.00 0.00 -0.495 OA ENDBRANCH 23 33 ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 4 34 ATOM 34 C LIG 1 1.688 -1.551 0.173 0.00 0.00 +0.101 C ATOM 35 C LIG 1 2.718 -1.992 1.230 0.00 0.00 +0.031 C BRANCH 34 36 ATOM 36 N LIG 1 2.095 -1.804 -1.220 0.00 0.00 -0.292 NA ATOM 37 C LIG 1 2.228 -3.225 -1.565 0.00 0.00 +0.100 C ATOM 38 C LIG 1 2.781 -3.427 -2.994 0.00 0.00 +0.100 C ATOM 39 N LIG 1 4.114 -2.833 -3.221 0.00 0.00 -0.292 NA ATOM 40 C LIG 1 4.424 -1.791 -2.222 0.00 0.00 +0.100 C ATOM 41 C LIG 1 3.186 -0.984 -1.763 0.00 0.00 +0.100 C BRANCH 39 42 ATOM 42 C LIG 1 5.178 -3.865 -3.299 0.00 0.00 +0.198 C BRANCH 42 43 ATOM 43 C LIG 1 6.627 -3.410 -3.573 0.00 0.00 +0.402 C ATOM 44 F LIG 1 7.128 -2.691 -2.542 0.00 0.00 -0.169 F ATOM 45 F LIG 1 7.432 -4.488 -3.733 0.00 0.00 -0.169 F ATOM 46 F LIG 1 6.725 -2.661 -4.692 0.00 0.00 -0.169 F ENDBRANCH 42 43 ENDBRANCH 39 42 ENDBRANCH 34 36 ENDBRANCH 4 34 TORSDOF 9