REMARK Name = BDB040263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.562 -0.127 -1.490 0.00 0.00 -0.036 A ATOM 2 C LIG 1 2.214 0.141 -1.141 0.00 0.00 +0.027 A ATOM 3 C LIG 1 1.146 0.057 -2.048 0.00 0.00 +0.037 A ATOM 4 C LIG 1 1.444 -0.309 -3.365 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.754 -0.598 -3.748 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.792 -0.514 -2.821 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.194 0.333 -1.656 0.00 0.00 -0.263 N ATOM 8 C LIG 1 -0.639 0.642 -0.365 0.00 0.00 +0.251 C ATOM 9 O LIG 1 -0.037 0.727 0.689 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.088 0.868 -0.456 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -2.976 1.206 0.547 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -4.327 1.371 0.206 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -4.734 1.189 -1.137 0.00 0.00 +0.017 A ATOM 14 C LIG 1 -3.816 0.840 -2.148 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -2.483 0.686 -1.776 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -1.296 0.325 -2.608 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 -4.248 0.642 -3.575 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -3.936 -0.599 -4.040 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -3.641 1.517 -4.423 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -5.586 0.792 -3.772 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 -5.338 1.751 1.272 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 -5.426 0.750 2.347 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -6.111 -0.481 1.924 0.00 0.00 +0.085 C ATOM 24 C LIG 1 -7.600 -0.214 2.089 0.00 0.00 +0.017 C ATOM 25 C LIG 1 -7.689 0.926 3.094 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -6.247 1.240 3.464 0.00 0.00 +0.085 C ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 1 27 ATOM 27 C LIG 1 4.766 -0.018 -0.373 0.00 0.00 +0.045 C ATOM 28 C LIG 1 6.172 0.443 -0.905 0.00 0.00 +0.090 C ATOM 29 C LIG 1 5.778 1.896 -0.574 0.00 0.00 +0.251 C ATOM 30 F LIG 1 6.759 2.666 -0.054 0.00 0.00 -0.206 F ATOM 31 F LIG 1 5.250 2.595 -1.606 0.00 0.00 -0.206 F ATOM 32 C LIG 1 4.754 1.338 0.435 0.00 0.00 +0.090 C BRANCH 27 33 ATOM 33 C LIG 1 4.755 -1.331 0.439 0.00 0.00 +0.244 C ATOM 34 F LIG 1 4.886 -2.354 -0.465 0.00 0.00 -0.236 F BRANCH 33 37 ATOM 35 C LIG 1 5.612 -4.029 1.663 0.00 0.00 +0.151 C ATOM 36 N LIG 1 6.131 -2.738 2.027 0.00 0.00 -0.318 N ATOM 37 C LIG 1 5.780 -1.515 1.508 0.00 0.00 +0.168 A ATOM 38 N LIG 1 6.484 -0.591 2.133 0.00 0.00 -0.132 NA ATOM 39 N LIG 1 7.302 -1.207 3.047 0.00 0.00 -0.138 NA ATOM 40 C LIG 1 7.079 -2.497 2.972 0.00 0.00 +0.224 A ENDBRANCH 33 37 ENDBRANCH 27 33 ENDBRANCH 1 27 TORSDOF 7