REMARK Name = BDB025094 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.396 0.688 0.616 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.108 1.250 0.576 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.015 2.700 0.851 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.577 3.530 -0.315 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.598 3.212 1.157 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.822 2.192 1.963 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.742 0.940 1.137 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.556 0.181 1.041 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.651 0.406 1.644 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.454 -0.556 1.233 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.786 -1.448 0.397 0.00 0.00 -0.296 N ATOM 12 C LIG 1 0.512 -0.964 0.256 0.00 0.00 +0.074 A ATOM 13 C LIG 1 1.648 -1.430 -0.419 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.825 -0.677 -0.310 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.898 0.489 0.463 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.424 1.355 0.704 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.314 -2.612 -0.228 0.00 0.00 +0.048 A ATOM 18 C LIG 1 -1.035 -2.864 -1.578 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -1.568 -3.995 -2.204 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -2.377 -4.882 -1.487 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -2.649 -4.633 -0.138 0.00 0.00 +0.021 A ATOM 22 C LIG 1 -2.118 -3.502 0.492 0.00 0.00 +0.027 A BRANCH 20 23 ATOM 23 C LIG 1 -2.920 -6.042 -2.132 0.00 0.00 +0.099 C ATOM 24 N LIG 1 -3.355 -6.979 -2.660 0.00 0.00 -0.191 NA ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.723 -1.249 0.727 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.419 -0.676 0.622 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.922 -0.559 1.550 0.00 0.00 +0.094 C BRANCH 27 28 ATOM 28 C LIG 1 -3.836 -0.325 0.331 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.590 0.944 -0.480 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -3.096 2.127 0.089 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.928 3.275 -0.689 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.259 3.260 -2.042 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.756 2.096 -2.621 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.922 0.947 -1.847 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.271 -0.486 0.821 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.681 -1.543 1.290 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -6.075 0.595 0.746 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -5.674 1.393 0.348 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8