REMARK Name = BDB025118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.469 1.871 0.039 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.791 0.655 -0.164 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.584 -0.568 -0.407 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.981 -1.237 0.916 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.883 -1.523 -1.367 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.532 -1.928 -0.823 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.736 -0.729 -0.392 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.331 -0.850 -0.273 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.547 -1.952 -0.510 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -0.685 -1.572 -0.256 0.00 0.00 +0.119 A ATOM 11 N LIG 1 -0.742 -0.249 0.118 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.554 0.229 0.132 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.127 1.458 0.449 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.522 1.569 0.343 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.350 0.512 -0.072 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.967 2.981 0.170 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.959 0.489 0.438 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.209 1.669 -0.516 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.516 2.390 -0.188 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.571 2.831 1.278 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.333 1.642 2.219 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.018 0.927 1.909 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.910 3.489 1.569 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.826 2.969 2.186 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.003 4.741 1.065 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.206 5.045 0.593 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -1.884 -2.589 -0.405 0.00 0.00 +0.048 C ATOM 28 C LIG 1 -1.692 -3.908 0.342 0.00 0.00 +0.017 C ATOM 29 C LIG 1 -2.694 -2.923 0.843 0.00 0.00 +0.017 C BRANCH 27 30 ATOM 30 C LIG 1 -2.475 -2.680 -1.799 0.00 0.00 +0.158 C BRANCH 30 31 ATOM 31 N LIG 1 -3.849 -2.199 -1.881 0.00 0.00 -0.270 N ATOM 32 N LIG 1 -4.110 -0.875 -1.910 0.00 0.00 -0.180 NA ATOM 33 C LIG 1 -5.440 -0.818 -2.013 0.00 0.00 +0.134 A ATOM 34 C LIG 1 -6.031 -2.093 -2.055 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -4.975 -2.968 -1.976 0.00 0.00 +0.108 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 37 ATOM 36 C LIG 1 7.572 2.910 0.272 0.00 0.00 +0.282 C ATOM 37 O LIG 1 6.829 1.707 0.071 0.00 0.00 -0.453 OA ENDBRANCH 1 37 TORSDOF 7