REMARK Name = BDB024614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.642 0.644 -0.851 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.522 -0.206 -0.847 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.722 -1.647 -1.108 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.053 -2.400 0.187 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.549 -2.259 -1.867 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.265 -2.088 -1.090 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.087 -0.666 -0.638 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.790 -0.219 -0.290 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.388 -0.921 -0.308 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.325 -0.087 0.089 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.784 1.154 0.374 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.575 1.083 0.139 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.623 1.992 0.256 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.910 1.541 -0.075 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.178 0.236 -0.523 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.641 1.865 -0.744 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.529 2.326 0.825 0.00 0.00 +0.093 C ATOM 18 C LIG 1 -1.120 2.797 2.231 0.00 0.00 +0.053 C ATOM 19 C LIG 1 -1.364 4.290 2.405 0.00 0.00 +0.162 C ATOM 20 O LIG 1 -2.543 4.664 1.702 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -2.378 4.629 0.284 0.00 0.00 +0.162 C ATOM 22 C LIG 1 -1.503 3.471 -0.191 0.00 0.00 +0.053 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 7.991 0.765 -1.014 0.00 0.00 +0.282 C ATOM 24 O LIG 1 6.816 -0.046 -1.006 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.781 -0.426 0.211 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.093 -1.877 -0.206 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.510 -2.276 0.188 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -5.630 -1.588 -0.304 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -6.920 -1.967 0.074 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.106 -3.037 0.946 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.004 -3.734 1.436 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.714 -3.357 1.059 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -2.844 -2.136 -1.682 0.00 0.00 +0.313 C ATOM 34 O LIG 1 -2.520 -3.206 -2.179 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.103 -1.085 -2.490 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -2.882 -1.441 -3.377 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7