REMARK Name = BDB024019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.194 -1.318 -1.162 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.068 -0.510 -1.381 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.796 -0.893 -0.928 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -0.670 -2.112 -0.271 0.00 0.00 +0.134 A ATOM 5 F LIG 1 0.530 -2.513 0.164 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.768 -2.938 -0.056 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -3.029 -2.543 -0.502 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 0.591 0.159 -1.203 0.00 0.00 +0.122 P ATOM 9 C LIG 1 1.875 -0.702 -2.123 0.00 0.00 +0.093 C ATOM 10 C LIG 1 3.026 -1.103 -1.218 0.00 0.00 +0.114 C ATOM 11 N LIG 1 3.653 0.094 -0.637 0.00 0.00 -0.314 N ATOM 12 C LIG 1 2.800 1.063 0.085 0.00 0.00 +0.114 C ATOM 13 C LIG 1 1.406 0.529 0.359 0.00 0.00 +0.093 C ATOM 14 O LIG 1 0.241 1.456 -1.900 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 4.822 -0.216 0.104 0.00 0.00 +0.132 A ATOM 16 C LIG 1 5.885 0.712 0.174 0.00 0.00 +0.040 A ATOM 17 C LIG 1 6.966 0.334 0.981 0.00 0.00 +0.076 A ATOM 18 C LIG 1 8.044 1.204 1.102 0.00 0.00 +0.028 A ATOM 19 C LIG 1 8.085 2.431 0.435 0.00 0.00 +0.002 A ATOM 20 C LIG 1 7.027 2.805 -0.382 0.00 0.00 +0.001 A ATOM 21 N LIG 1 7.009 -0.830 1.637 0.00 0.00 -0.235 NA ATOM 22 C LIG 1 5.960 -1.643 1.477 0.00 0.00 +0.223 A ATOM 23 C LIG 1 5.935 1.951 -0.516 0.00 0.00 +0.013 A ATOM 24 N LIG 1 4.868 -1.399 0.746 0.00 0.00 -0.220 NA ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 -4.556 -0.888 -1.661 0.00 0.00 +0.093 C BRANCH 25 33 ATOM 26 O LIG 1 -8.413 -0.968 2.311 0.00 0.00 -0.266 OA ATOM 27 C LIG 1 -7.545 -0.890 1.449 0.00 0.00 +0.272 A ATOM 28 C LIG 1 -6.642 0.270 1.369 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -5.672 0.311 0.369 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -4.820 1.419 0.289 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -4.942 2.467 1.207 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.913 2.417 2.207 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.609 -0.847 -0.560 0.00 0.00 +0.074 A ATOM 34 N LIG 1 -6.416 -1.865 -0.477 0.00 0.00 -0.175 NA ATOM 35 C LIG 1 -6.766 1.319 2.290 0.00 0.00 +0.014 A ATOM 36 N LIG 1 -7.356 -1.867 0.504 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -7.972 -2.674 0.542 0.00 0.00 +0.192 HD ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 4