REMARK Name = BDB024789 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.632 -3.930 1.141 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.660 -2.612 0.655 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.918 -1.860 0.860 0.00 0.00 +0.082 C ATOM 4 C LIG 1 7.037 -2.381 -0.057 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.808 -0.341 0.653 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.471 0.174 1.142 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.407 -0.527 0.349 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.281 0.150 -0.161 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.946 1.478 -0.058 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.802 1.621 -0.697 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.392 0.417 -1.231 0.00 0.00 -0.326 N ATOM 12 C LIG 1 1.320 -0.542 -0.886 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.415 -1.912 -1.137 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.534 -2.579 -0.620 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.520 -1.919 0.129 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.623 -4.515 1.572 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 3.352 -5.818 1.709 0.00 0.00 +0.282 C ATOM 18 O LIG 1 3.393 -4.499 1.165 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -0.799 0.182 -2.029 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 -2.053 0.029 -1.165 0.00 0.00 +0.102 C BRANCH 20 21 ATOM 21 N LIG 1 -3.223 -0.242 -2.008 0.00 0.00 -0.312 NA ATOM 22 H LIG 1 -3.214 -1.233 -2.272 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.487 -0.020 -1.280 0.00 0.00 +0.112 C BRANCH 23 24 ATOM 24 C LIG 1 -4.757 -1.061 -0.172 0.00 0.00 +0.132 C ATOM 25 O LIG 1 -4.707 -2.384 -0.753 0.00 0.00 -0.375 OA ATOM 26 C LIG 1 -6.006 -2.982 -0.644 0.00 0.00 +0.160 C ATOM 27 C LIG 1 -6.979 -1.857 -0.372 0.00 0.00 +0.031 C ATOM 28 C LIG 1 -6.139 -0.910 0.448 0.00 0.00 +0.035 C ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 29 ATOM 29 C LIG 1 0.053 2.909 -0.803 0.00 0.00 +0.096 C BRANCH 29 30 ATOM 30 C LIG 1 -0.360 3.409 0.585 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 N LIG 1 -1.177 4.621 0.507 0.00 0.00 -0.315 N ATOM 32 C LIG 1 -2.551 4.486 0.303 0.00 0.00 +0.251 A ATOM 33 O LIG 1 -3.140 3.414 0.199 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -3.322 5.756 0.202 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -2.692 6.935 0.284 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -1.266 6.991 0.472 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -0.560 5.859 0.575 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 9