REMARK Name = BDB024575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.267 -1.389 0.644 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.107 -1.646 -0.111 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.183 -2.861 -0.946 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.109 -4.128 -0.076 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.147 -2.893 -2.066 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.758 -2.713 -1.492 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.704 -1.439 -0.698 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.476 -0.745 -0.585 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.239 -1.117 -1.049 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.600 -0.178 -0.656 0.00 0.00 +0.111 A ATOM 11 N LIG 1 0.091 0.863 -0.065 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.407 0.473 0.078 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.530 1.034 0.682 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.739 0.325 0.589 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.856 -0.920 -0.050 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.349 -1.928 0.414 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.507 2.093 0.512 0.00 0.00 +0.090 C ATOM 18 C LIG 1 0.382 3.379 0.408 0.00 0.00 +0.034 C ATOM 19 C LIG 1 -0.882 4.113 0.041 0.00 0.00 -0.001 C ATOM 20 C LIG 1 -1.567 4.957 1.085 0.00 0.00 +0.089 C ATOM 21 N LIG 1 -1.022 6.145 0.379 0.00 0.00 -0.315 NA ATOM 22 H LIG 1 -1.675 6.919 0.272 0.00 0.00 +0.122 HD ATOM 23 C LIG 1 -0.821 5.323 -0.843 0.00 0.00 +0.089 C ATOM 24 C LIG 1 -1.517 2.836 -0.426 0.00 0.00 +0.034 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.265 -0.355 2.503 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.096 -0.556 1.707 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.083 -0.282 -0.815 0.00 0.00 +0.079 C BRANCH 27 28 ATOM 28 C LIG 1 -2.769 -0.643 0.504 0.00 0.00 +0.043 C BRANCH 28 29 ATOM 29 C LIG 1 -4.269 -0.689 0.358 0.00 0.00 -0.044 A ATOM 30 C LIG 1 -4.897 -1.835 -0.151 0.00 0.00 +0.049 A ATOM 31 C LIG 1 -6.285 -1.888 -0.312 0.00 0.00 +0.120 A ATOM 32 C LIG 1 -7.055 -0.779 0.038 0.00 0.00 +0.045 A ATOM 33 C LIG 1 -6.440 0.370 0.542 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.055 0.417 0.700 0.00 0.00 +0.004 A BRANCH 31 35 ATOM 35 O LIG 1 -6.757 -3.068 -0.817 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 -8.164 -3.177 -0.991 0.00 0.00 +0.277 C ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 6