REMARK Name = BDB015228 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.246 -1.676 -3.810 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.095 -1.061 -3.278 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -1.141 -1.132 -3.926 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -1.228 -1.796 -5.148 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -0.103 -2.406 -5.702 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.123 -2.351 -5.034 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 4.158 -1.823 0.296 0.00 0.00 -0.321 N ATOM 8 C LIG 1 3.792 -1.715 -1.023 0.00 0.00 +0.070 A ATOM 9 C LIG 1 4.979 -1.419 -1.684 0.00 0.00 +0.089 A ATOM 10 C LIG 1 4.957 -1.211 -3.069 0.00 0.00 +0.030 A ATOM 11 C LIG 1 3.732 -1.302 -3.749 0.00 0.00 +0.011 A ATOM 12 C LIG 1 2.532 -1.609 -3.083 0.00 0.00 -0.016 A ATOM 13 N LIG 1 6.034 -1.383 -0.805 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 2.566 -1.834 -1.690 0.00 0.00 +0.036 A ATOM 15 C LIG 1 5.513 -1.654 0.370 0.00 0.00 +0.200 A BRANCH 7 16 ATOM 16 C LIG 1 3.286 -2.100 1.420 0.00 0.00 +0.219 C BRANCH 16 18 ATOM 17 O LIG 1 1.056 -1.243 1.297 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 2.228 -1.032 1.626 0.00 0.00 +0.235 C ATOM 19 N LIG 1 2.605 0.159 2.207 0.00 0.00 -0.300 N ATOM 20 C LIG 1 1.641 1.227 2.422 0.00 0.00 +0.108 C ATOM 21 C LIG 1 2.483 2.444 2.774 0.00 0.00 +0.020 C ATOM 22 C LIG 1 3.704 1.830 3.445 0.00 0.00 +0.020 C ATOM 23 C LIG 1 3.938 0.568 2.626 0.00 0.00 +0.108 C ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 24 ATOM 24 O LIG 1 -2.312 -0.583 -3.478 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 -2.373 -0.179 -2.098 0.00 0.00 +0.261 C BRANCH 25 26 ATOM 26 C LIG 1 -2.000 1.302 -1.952 0.00 0.00 +0.166 C BRANCH 26 27 ATOM 27 O LIG 1 -3.106 2.122 -2.364 0.00 0.00 -0.387 OA ATOM 28 H LIG 1 -2.790 3.041 -2.388 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -1.527 1.698 -0.530 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 -2.393 1.477 0.629 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -3.782 1.900 0.489 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -4.490 1.862 1.826 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -4.284 0.744 2.652 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -4.959 0.640 3.871 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.824 1.657 4.275 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.029 2.769 3.458 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.378 -0.343 2.139 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -5.369 2.871 2.232 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -2.181 0.212 1.339 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 9