REMARK Name = BDB024597 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.966 1.140 -1.975 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.194 1.391 -0.828 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.637 2.506 0.035 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.925 2.148 0.793 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.599 2.983 1.063 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.203 2.931 0.481 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.929 1.504 0.105 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.685 0.888 0.355 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.428 1.412 0.954 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.346 0.462 0.946 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.839 -0.696 0.378 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.465 -0.431 -0.014 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.458 -1.199 -0.630 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.689 -0.578 -0.884 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.936 0.760 -0.549 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.042 1.691 -2.202 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.487 -1.997 0.224 0.00 0.00 +0.094 C ATOM 18 C LIG 1 -1.719 -2.728 1.572 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -0.570 -3.704 1.862 0.00 0.00 +0.011 C ATOM 20 C LIG 1 -3.078 -3.446 1.581 0.00 0.00 +0.086 C ATOM 21 N LIG 1 -3.336 -4.198 0.358 0.00 0.00 -0.316 NA ATOM 22 H LIG 1 -2.703 -4.995 0.291 0.00 0.00 +0.122 HD ATOM 23 C LIG 1 -3.259 -3.392 -0.862 0.00 0.00 +0.083 C ATOM 24 C LIG 1 -2.742 -1.968 -0.653 0.00 0.00 +0.040 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 5.152 0.072 -4.060 0.00 0.00 +0.282 C ATOM 26 O LIG 1 4.397 0.277 -2.866 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.722 0.652 1.519 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -3.733 1.273 0.573 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -3.388 2.315 -0.301 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -4.345 2.891 -1.139 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.664 2.445 -1.105 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.029 1.429 -0.225 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.073 0.852 0.614 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 4