REMARK Name = BDB024539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.671 0.257 -0.708 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.713 -0.474 0.016 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.097 -1.742 0.685 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.016 -1.482 1.892 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.921 -2.596 1.185 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.774 -2.556 0.201 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.341 -1.125 0.074 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.979 -0.764 0.006 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.127 -1.573 0.065 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.172 -0.779 -0.039 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.773 0.540 -0.175 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.607 0.567 -0.143 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.558 1.587 -0.226 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.909 1.220 -0.166 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.321 -0.112 -0.026 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.471 1.288 -1.343 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.669 1.683 -0.339 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.596 2.674 0.834 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.603 3.822 0.657 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.412 4.518 -0.695 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.494 3.530 -1.856 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.500 2.382 -1.696 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.469 4.834 1.782 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.490 4.952 2.501 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.559 5.622 1.918 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.278 5.435 1.286 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.911 0.356 -1.425 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.904 -0.334 -0.682 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.602 -1.226 -0.017 0.00 0.00 +0.079 C BRANCH 29 30 ATOM 30 C LIG 1 -2.742 -2.739 0.174 0.00 0.00 +0.043 C BRANCH 30 31 ATOM 31 C LIG 1 -4.195 -3.153 0.197 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -4.905 -3.182 1.405 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -6.254 -3.542 1.422 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.904 -3.871 0.234 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.207 -3.842 -0.972 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.858 -3.483 -0.992 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7