REMARK Name = BDB024512 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.694 -0.330 -2.288 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.800 -0.980 -1.421 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.179 -2.340 -0.981 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.359 -2.305 0.004 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.046 -3.152 -0.331 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.726 -2.873 -1.016 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.448 -1.405 -0.867 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.167 -0.913 -0.544 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.011 -1.609 -0.306 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.916 -0.713 -0.033 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.391 0.566 -0.090 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.949 0.453 -0.420 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.973 1.384 -0.609 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.242 0.888 -0.936 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.496 -0.482 -1.084 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.814 -0.760 -2.555 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.075 1.835 0.153 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.593 1.978 1.590 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.131 3.386 1.859 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.975 3.962 0.710 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.349 2.919 -0.346 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.141 2.162 -0.910 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -2.263 5.125 0.050 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.087 5.165 -0.270 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.082 6.164 -0.199 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.509 6.828 -0.637 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.086 1.431 -3.796 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.197 0.796 -2.877 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.329 -1.076 0.295 0.00 0.00 +0.079 C BRANCH 29 30 ATOM 30 C LIG 1 -2.413 -1.751 1.666 0.00 0.00 +0.046 C BRANCH 30 31 ATOM 31 C LIG 1 -3.821 -2.008 2.081 0.00 0.00 -0.010 A ATOM 32 C LIG 1 -4.574 -3.148 1.891 0.00 0.00 +0.111 A ATOM 33 N LIG 1 -5.793 -2.902 2.449 0.00 0.00 -0.274 N ATOM 34 C LIG 1 -6.921 -3.799 2.509 0.00 0.00 +0.172 C ATOM 35 N LIG 1 -5.894 -1.672 2.987 0.00 0.00 -0.180 NA ATOM 36 C LIG 1 -4.691 -1.137 2.776 0.00 0.00 +0.138 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7