REMARK Name = BDB024973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.697 -1.179 -1.968 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.821 -1.486 -0.913 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.089 -2.741 -0.177 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.349 -2.621 0.696 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.939 -3.226 0.719 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.601 -2.963 0.063 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.491 -1.480 -0.146 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.296 -0.776 0.103 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.095 -1.252 0.558 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.716 -0.217 0.634 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.068 0.939 0.235 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.229 0.595 -0.106 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.331 1.326 -0.559 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.513 0.618 -0.815 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.609 -0.770 -0.637 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.734 -1.801 -2.192 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.606 2.296 0.162 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.940 2.888 1.545 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -2.108 3.874 1.507 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -2.071 4.734 0.250 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -2.165 3.903 -1.031 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -1.748 2.441 -0.853 0.00 0.00 +0.025 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 6.131 0.100 -3.891 0.00 0.00 +0.282 C ATOM 24 O LIG 1 5.274 -0.170 -2.782 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.136 -0.321 1.098 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 -2.995 -1.087 0.085 0.00 0.00 +0.043 C BRANCH 26 27 ATOM 27 C LIG 1 -4.478 -0.941 0.365 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -5.150 -1.602 1.415 0.00 0.00 +0.062 A ATOM 29 C LIG 1 -6.522 -1.365 1.622 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -7.228 -0.484 0.803 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.573 0.168 -0.234 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.213 -0.056 -0.451 0.00 0.00 +0.004 A BRANCH 28 33 ATOM 33 C LIG 1 -4.460 -2.572 2.308 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -3.483 -3.247 2.050 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -5.029 -2.631 3.527 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -4.472 -3.280 4.006 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7