REMARK Name = BDB021788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.442 -1.941 -0.986 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -2.501 -1.169 -1.473 0.00 0.00 +0.307 C ATOM 3 N LIG 1 -2.303 0.189 -1.474 0.00 0.00 -0.269 N ATOM 4 H LIG 1 -1.486 0.522 -1.002 0.00 0.00 +0.156 HD ATOM 5 O LIG 1 -3.537 -1.699 -1.873 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 11 ATOM 6 N LIG 1 2.058 0.230 0.424 0.00 0.00 -0.292 NA ATOM 7 C LIG 1 2.147 -0.400 -0.923 0.00 0.00 +0.019 C ATOM 8 C LIG 1 2.737 0.609 -1.949 0.00 0.00 +0.027 C ATOM 9 C LIG 1 3.043 -1.660 -0.978 0.00 0.00 +0.027 C ATOM 10 C LIG 1 0.735 -0.747 -1.468 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -0.123 -1.498 -0.453 0.00 0.00 +0.081 C ATOM 12 C LIG 1 -0.215 -0.725 0.860 0.00 0.00 +0.044 C ATOM 13 C LIG 1 1.176 -0.384 1.456 0.00 0.00 +0.019 C ATOM 14 C LIG 1 1.768 -1.643 2.133 0.00 0.00 +0.027 C ATOM 15 C LIG 1 0.887 0.637 2.593 0.00 0.00 +0.027 C BRANCH 6 16 ATOM 16 C LIG 1 3.323 0.792 0.937 0.00 0.00 +0.085 C BRANCH 16 17 ATOM 17 C LIG 1 3.296 2.328 0.918 0.00 0.00 +0.015 C BRANCH 17 19 ATOM 18 C LIG 1 4.591 4.429 1.433 0.00 0.00 +0.004 C ATOM 19 C LIG 1 4.608 2.909 1.448 0.00 0.00 -0.002 C ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 6 16 ENDBRANCH 1 11 BRANCH 3 20 ATOM 20 C LIG 1 -3.156 1.199 -1.968 0.00 0.00 +0.035 A ATOM 21 C LIG 1 -2.755 2.526 -1.757 0.00 0.00 +0.035 A ATOM 22 C LIG 1 -3.529 3.606 -2.218 0.00 0.00 +0.057 A ATOM 23 C LIG 1 -4.726 3.341 -2.893 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -5.130 2.025 -3.111 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -4.347 0.961 -2.653 0.00 0.00 +0.023 A BRANCH 22 26 ATOM 26 C LIG 1 -3.078 5.021 -1.959 0.00 0.00 +0.417 C ATOM 27 F LIG 1 -3.759 5.953 -2.681 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -1.761 5.212 -2.254 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -3.222 5.379 -0.653 0.00 0.00 -0.166 F ENDBRANCH 22 26 ENDBRANCH 3 20 BRANCH 1 30 ATOM 30 C LIG 1 -1.681 -3.392 -0.930 0.00 0.00 +0.144 C BRANCH 30 31 ATOM 31 C LIG 1 -1.931 -3.879 0.481 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -0.974 -4.652 1.156 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -1.206 -5.081 2.464 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.394 -4.744 3.109 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.354 -3.980 2.447 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.124 -3.551 1.140 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 8