REMARK Name = BDB035671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.903 1.278 -0.339 0.00 0.00 +0.003 A ATOM 2 C LIG 1 -2.683 0.566 -0.293 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.438 1.199 -0.450 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.439 2.581 -0.664 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.634 3.304 -0.730 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.858 2.659 -0.572 0.00 0.00 +0.007 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.231 0.450 -0.393 0.00 0.00 -0.263 N ATOM 8 C LIG 1 1.070 0.952 -0.509 0.00 0.00 +0.251 C ATOM 9 O LIG 1 1.481 2.087 -0.669 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.983 -0.193 -0.397 0.00 0.00 +0.044 A ATOM 11 C LIG 1 1.226 -1.342 -0.220 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.854 -2.563 -0.078 0.00 0.00 +0.047 A ATOM 13 C LIG 1 3.253 -2.614 -0.119 0.00 0.00 +0.025 A ATOM 14 C LIG 1 4.019 -1.441 -0.307 0.00 0.00 -0.031 A ATOM 15 CL LIG 1 0.950 -4.005 0.153 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 3.367 -0.206 -0.441 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -0.221 -0.997 -0.210 0.00 0.00 +0.151 C BRANCH 14 18 ATOM 18 C LIG 1 5.530 -1.504 -0.324 0.00 0.00 +0.117 C BRANCH 18 19 ATOM 19 N LIG 1 6.062 -1.077 0.968 0.00 0.00 -0.307 NA ATOM 20 H LIG 1 5.715 -1.700 1.696 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.524 -0.930 0.956 0.00 0.00 +0.017 C ATOM 22 C LIG 1 7.915 0.363 0.185 0.00 0.00 +0.022 C ATOM 23 C LIG 1 8.806 0.739 1.387 0.00 0.00 +0.004 C ATOM 24 C LIG 1 7.906 -0.164 2.258 0.00 0.00 +0.022 C ATOM 25 C LIG 1 8.299 -2.210 0.701 0.00 0.00 +0.027 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 -5.226 0.501 -0.157 0.00 0.00 +0.220 C ATOM 27 F LIG 1 -4.976 -0.557 0.699 0.00 0.00 -0.223 F BRANCH 26 30 ATOM 28 C LIG 1 -5.604 0.888 2.918 0.00 0.00 +0.151 C ATOM 29 N LIG 1 -6.410 1.489 1.889 0.00 0.00 -0.317 N ATOM 30 C LIG 1 -6.291 1.346 0.526 0.00 0.00 +0.180 A ATOM 31 N LIG 1 -7.214 2.107 -0.042 0.00 0.00 -0.131 NA ATOM 32 N LIG 1 -7.937 2.730 0.944 0.00 0.00 -0.138 NA ATOM 33 C LIG 1 -7.446 2.347 2.097 0.00 0.00 +0.224 A ENDBRANCH 26 30 BRANCH 26 34 ATOM 34 C LIG 1 -5.702 -0.066 -1.510 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.047 0.766 -2.592 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -6.456 0.224 -3.813 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.525 -1.157 -3.976 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.189 -1.999 -2.919 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.782 -1.459 -1.697 0.00 0.00 +0.007 A ENDBRANCH 26 34 ENDBRANCH 1 26 TORSDOF 7