REMARK Name = BDB025063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.133 -0.533 2.134 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.809 -1.011 2.100 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.485 -2.339 2.678 0.00 0.00 +0.082 C ATOM 4 C LIG 1 3.608 -2.328 4.213 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.083 -2.871 2.337 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.732 -2.558 0.902 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.748 -1.064 0.756 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.762 -0.381 0.014 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.343 -0.888 -0.619 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -0.996 0.140 -1.129 0.00 0.00 +0.146 A ATOM 11 N LIG 1 -0.272 1.308 -0.922 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.821 0.998 -0.137 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.834 1.757 0.453 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.809 1.073 1.190 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.793 -0.320 1.348 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.537 0.526 1.665 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.668 2.639 -1.369 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.181 3.502 -0.205 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.861 4.784 -0.712 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.348 5.232 -2.091 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.126 4.884 -2.286 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.382 3.374 -2.222 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.382 4.766 -0.722 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.040 5.798 -0.648 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.984 3.574 -0.873 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.439 2.761 -0.959 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.351 -0.996 2.768 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.989 -1.420 2.727 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.328 0.091 -1.841 0.00 0.00 +0.228 C BRANCH 29 30 ATOM 30 C LIG 1 -3.042 -1.256 -1.913 0.00 0.00 +0.078 A ATOM 31 N LIG 1 -3.824 -1.442 -3.023 0.00 0.00 -0.253 NA ATOM 32 C LIG 1 -4.545 -2.587 -3.116 0.00 0.00 +0.157 A ATOM 33 C LIG 1 -4.521 -3.539 -2.131 0.00 0.00 +0.142 A ATOM 34 O LIG 1 -5.221 -4.713 -2.122 0.00 0.00 -0.490 OA ATOM 35 C LIG 1 -4.623 -5.444 -1.022 0.00 0.00 +0.234 C ATOM 36 C LIG 1 -3.991 -4.444 -0.051 0.00 0.00 +0.080 C ATOM 37 C LIG 1 -3.768 -3.327 -0.996 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -3.030 -2.169 -0.852 0.00 0.00 +0.033 A ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 -3.199 1.057 -1.204 0.00 0.00 -0.378 OA ATOM 40 H LIG 1 -4.089 0.645 -1.243 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 7