REMARK Name = BDB006426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.578 -3.903 -2.423 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.069 -3.207 -1.208 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.685 -2.103 -0.541 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.878 -1.758 0.545 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -1.212 -0.701 1.411 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -2.386 0.018 1.162 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -3.203 -0.299 0.075 0.00 0.00 +0.037 A ATOM 8 N LIG 1 0.201 -2.628 0.540 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.866 -1.365 -0.771 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.092 -3.515 -0.515 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.103 -4.576 -0.793 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -4.454 0.456 -0.210 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.463 1.782 0.177 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.560 2.211 0.330 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -5.385 -0.088 -0.792 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.562 2.669 -0.194 0.00 0.00 +0.102 C ATOM 17 C LIG 1 -6.855 2.325 0.556 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.171 4.115 0.072 0.00 0.00 -0.006 A ATOM 19 C LIG 1 -5.199 5.107 -0.917 0.00 0.00 +0.064 A ATOM 20 CL LIG 1 -5.681 4.810 -2.543 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -4.821 6.401 -0.571 0.00 0.00 +0.131 A ATOM 22 N LIG 1 -4.427 6.779 0.669 0.00 0.00 -0.262 NA ATOM 23 C LIG 1 -4.417 5.818 1.613 0.00 0.00 +0.111 A ATOM 24 C LIG 1 -4.772 4.500 1.368 0.00 0.00 +0.026 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 1.266 -2.639 1.546 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 2.566 -2.056 1.044 0.00 0.00 -0.028 A ATOM 27 C LIG 1 2.617 -0.818 0.391 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.838 -0.287 -0.039 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.044 -0.969 0.179 0.00 0.00 -0.018 A ATOM 30 C LIG 1 4.988 -2.201 0.848 0.00 0.00 +0.009 A ATOM 31 C LIG 1 3.769 -2.736 1.278 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.327 -0.409 -0.277 0.00 0.00 -0.018 A ATOM 33 C LIG 1 6.512 -0.021 -1.615 0.00 0.00 +0.008 A ATOM 34 C LIG 1 7.729 0.510 -2.050 0.00 0.00 +0.001 A ATOM 35 C LIG 1 8.783 0.664 -1.153 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.621 0.287 0.177 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.404 -0.245 0.611 0.00 0.00 +0.008 A ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 6