REMARK Name = BDB025191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.071 -1.246 1.025 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.289 -0.448 0.171 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.936 0.582 -0.679 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.766 -0.062 -1.804 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.970 1.579 -1.340 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.853 1.951 -0.394 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.118 0.689 -0.049 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.711 0.653 0.046 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.190 1.661 -0.164 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.385 1.165 0.068 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -1.286 -0.186 0.379 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.058 -0.519 0.400 0.00 0.00 +0.071 A ATOM 13 C LIG 1 0.759 -1.696 0.673 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.157 -1.651 0.586 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.851 -0.484 0.238 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.658 -2.099 1.805 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.394 -1.107 0.627 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.466 -2.261 -0.394 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -3.188 -3.504 0.150 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.277 -3.121 1.156 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.706 -2.396 2.375 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.431 -1.603 2.078 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.770 -4.301 -0.995 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.947 -4.416 -1.289 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.816 -4.914 -1.723 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.312 -5.389 -2.424 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.241 -1.709 1.810 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.403 -0.946 0.941 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.576 1.815 0.049 0.00 0.00 -0.285 N ATOM 30 H LIG 1 -3.370 1.411 0.526 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.826 3.145 -0.363 0.00 0.00 +0.035 A ATOM 32 C LIG 1 -4.077 3.715 -0.066 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -4.391 5.026 -0.454 0.00 0.00 +0.054 A ATOM 34 C LIG 1 -3.455 5.788 -1.154 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -2.215 5.237 -1.465 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -1.909 3.929 -1.074 0.00 0.00 +0.023 A BRANCH 33 37 ATOM 37 C LIG 1 -5.672 5.580 -0.130 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -6.713 6.019 0.135 0.00 0.00 -0.191 NA ENDBRANCH 33 37 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7