REMARK Name = BDB024959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.142 0.123 1.811 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.256 0.978 1.131 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.643 2.385 0.861 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.758 2.465 -0.198 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.498 3.293 0.385 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.217 2.971 1.120 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.880 1.539 0.828 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.555 1.124 0.577 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.585 1.883 0.516 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -1.575 1.048 0.249 0.00 0.00 +0.121 A ATOM 11 N LIG 1 -1.102 -0.250 0.147 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.267 -0.214 0.343 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.267 -1.189 0.334 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.580 -0.772 0.593 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.906 0.568 0.848 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.925 -1.040 2.135 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.902 -1.444 -0.119 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.869 -2.458 1.034 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.876 -3.598 0.816 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.122 -3.920 -0.668 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.917 -3.576 -1.537 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.585 -2.084 -1.483 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.397 -4.823 1.566 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.808 -5.784 1.106 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.667 -4.748 2.884 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.293 -5.576 3.254 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.242 -0.071 2.857 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.315 0.745 2.139 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -3.019 1.475 0.062 0.00 0.00 +0.110 C BRANCH 29 30 ATOM 30 C LIG 1 -3.503 1.329 -1.377 0.00 0.00 -0.035 A ATOM 31 C LIG 1 -4.732 0.702 -1.643 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.185 0.548 -2.954 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.421 1.027 -4.016 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.208 1.665 -3.768 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.753 1.819 -2.458 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -3.260 2.908 0.599 0.00 0.00 +0.171 C BRANCH 36 37 ATOM 37 O LIG 1 -2.415 3.893 0.001 0.00 0.00 -0.394 OA ATOM 38 H LIG 1 -1.502 3.548 0.114 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 29 36 ENDBRANCH 10 29 TORSDOF 8