REMARK Name = BDB039209 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.094 -2.242 0.325 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.373 -1.069 0.201 0.00 0.00 -0.263 N ATOM 3 C LIG 1 2.970 -1.185 -0.164 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.157 0.060 0.081 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.753 1.271 0.500 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.964 2.398 0.762 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.577 2.377 0.586 0.00 0.00 +0.029 A ATOM 8 C LIG 1 -0.002 1.187 0.121 0.00 0.00 +0.078 A ATOM 9 N LIG 1 -1.319 0.803 -0.149 0.00 0.00 -0.250 N ATOM 10 C LIG 1 -2.484 1.592 -0.037 0.00 0.00 +0.327 C ATOM 11 N LIG 1 -2.320 2.914 -0.476 0.00 0.00 -0.256 N ATOM 12 C LIG 1 -1.637 3.163 -1.752 0.00 0.00 +0.140 C ATOM 13 O LIG 1 -3.491 1.074 0.425 0.00 0.00 -0.249 OA ATOM 14 C LIG 1 -1.272 -0.559 -0.453 0.00 0.00 +0.122 A ATOM 15 N LIG 1 -0.031 -1.005 -0.470 0.00 0.00 -0.231 NA ATOM 16 C LIG 1 4.240 1.325 0.754 0.00 0.00 +0.054 C ATOM 17 C LIG 1 0.759 0.046 -0.102 0.00 0.00 +0.095 A ATOM 18 C LIG 1 4.995 0.234 -0.003 0.00 0.00 +0.116 C ATOM 19 O LIG 1 4.588 -3.359 0.296 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 20 ATOM 20 C LIG 1 -3.092 3.990 0.098 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -3.782 3.829 1.310 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -4.506 4.880 1.886 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.544 6.124 1.269 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.853 6.318 0.079 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -3.130 5.264 -0.495 0.00 0.00 +0.023 A ENDBRANCH 11 20 BRANCH 14 26 ATOM 26 C LIG 1 -2.481 -1.412 -0.774 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -2.903 -2.221 0.461 0.00 0.00 +0.012 C ATOM 28 C LIG 1 -1.896 -3.312 0.848 0.00 0.00 +0.015 C ATOM 29 C LIG 1 -1.239 -4.004 -0.354 0.00 0.00 +0.098 C ATOM 30 C LIG 1 -2.052 -3.811 -1.635 0.00 0.00 +0.015 C ATOM 31 C LIG 1 -2.220 -2.330 -1.990 0.00 0.00 +0.012 C BRANCH 29 32 ATOM 32 C LIG 1 -1.042 -5.479 -0.054 0.00 0.00 +0.308 C ATOM 33 O LIG 1 -1.795 -6.372 -0.411 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 0.062 -5.722 0.690 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 0.585 -4.921 0.893 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 14 26 BRANCH 1 37 ATOM 36 C LIG 1 7.202 -3.216 0.627 0.00 0.00 +0.282 C ATOM 37 O LIG 1 6.428 -2.025 0.487 0.00 0.00 -0.454 OA ENDBRANCH 1 37 TORSDOF 5