REMARK Name = BDB024963 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.644 0.721 -1.506 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.850 0.013 -0.587 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.462 -1.036 0.267 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.397 -0.421 1.325 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.461 -1.934 1.012 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.271 -2.250 0.137 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.615 -0.947 -0.215 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.211 -0.807 -0.239 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.248 -1.739 0.052 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.912 -1.141 -0.125 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.732 0.178 -0.503 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.629 0.402 -0.598 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.401 1.510 -0.957 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.795 1.361 -0.940 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.417 0.157 -0.582 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.257 1.579 -2.293 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.786 1.164 -0.741 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.740 2.325 0.268 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.907 3.311 0.080 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.330 3.491 -1.384 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.224 3.106 -2.358 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.831 1.637 -2.208 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.105 2.875 0.893 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.438 1.727 1.135 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.839 3.916 1.327 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.580 3.513 1.827 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.799 0.988 -2.416 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.952 0.321 -1.479 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.229 -1.822 0.071 0.00 0.00 +0.079 C BRANCH 29 30 ATOM 30 C LIG 1 -2.723 -1.668 1.510 0.00 0.00 +0.043 C BRANCH 30 31 ATOM 31 C LIG 1 -4.015 -2.416 1.740 0.00 0.00 -0.044 A ATOM 32 C LIG 1 -3.992 -3.772 2.099 0.00 0.00 +0.045 A ATOM 33 C LIG 1 -5.187 -4.460 2.294 0.00 0.00 +0.159 A ATOM 34 F LIG 1 -5.152 -5.754 2.639 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -6.405 -3.813 2.130 0.00 0.00 +0.158 A ATOM 36 F LIG 1 -7.554 -4.478 2.316 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -6.446 -2.471 1.768 0.00 0.00 +0.041 A ATOM 38 C LIG 1 -5.251 -1.773 1.571 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7