REMARK Name = BDB024979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.031 -0.723 0.248 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.109 0.233 -0.214 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.663 1.543 -0.616 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.462 1.438 -1.926 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.625 2.663 -0.787 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.545 2.558 0.268 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.884 1.221 0.105 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.486 1.059 0.215 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.522 2.010 0.432 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 -0.636 1.376 0.430 0.00 0.00 +0.152 A ATOM 11 N LIG 1 -0.433 0.008 0.312 0.00 0.00 -0.321 N ATOM 12 C LIG 1 0.913 -0.201 0.091 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.679 -1.333 -0.196 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.065 -1.164 -0.307 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.684 0.080 -0.131 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.250 -0.578 0.182 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.464 -1.019 0.438 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.168 -2.068 1.520 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.358 -3.008 1.768 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.319 -3.147 0.571 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.552 -3.016 -0.749 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.829 -1.672 -0.905 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.475 -2.162 0.658 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.678 -1.357 1.554 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.319 -2.246 -0.388 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.949 -1.506 -0.243 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.405 -2.753 1.371 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.469 -1.811 0.847 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.000 2.023 0.556 0.00 0.00 +0.236 C ATOM 30 C LIG 1 -1.896 3.543 0.653 0.00 0.00 +0.060 C BRANCH 29 31 ATOM 31 O LIG 1 -2.704 1.677 -0.643 0.00 0.00 -0.481 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.066 1.578 -0.636 0.00 0.00 +0.122 A ATOM 33 C LIG 1 -4.912 1.738 0.459 0.00 0.00 +0.045 A ATOM 34 C LIG 1 -6.295 1.576 0.310 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -6.839 1.255 -0.930 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.000 1.098 -2.030 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -4.621 1.256 -1.878 0.00 0.00 +0.045 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7