REMARK Name = BDB024623 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.805 -0.083 2.704 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.298 0.252 1.436 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.133 1.027 0.484 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.306 0.183 -0.047 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.383 1.581 -0.738 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.007 2.068 -0.348 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.261 0.895 0.215 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.902 0.669 -0.083 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.064 1.384 -0.900 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.114 0.796 -0.841 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -1.050 -0.318 -0.026 0.00 0.00 -0.327 N ATOM 12 C LIG 1 0.230 -0.406 0.481 0.00 0.00 +0.069 A ATOM 13 C LIG 1 0.854 -1.303 1.348 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.203 -1.067 1.646 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.917 0.014 1.105 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.207 -0.680 3.592 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.634 0.089 4.176 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.080 0.378 2.891 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -2.113 -1.266 0.260 0.00 0.00 +0.124 C BRANCH 19 20 ATOM 20 C LIG 1 -2.100 -2.446 -0.714 0.00 0.00 +0.025 C BRANCH 20 21 ATOM 21 C LIG 1 -3.249 -3.436 -0.463 0.00 0.00 -0.007 C ATOM 22 C LIG 1 -3.171 -4.091 0.931 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -3.675 -5.538 0.945 0.00 0.00 +0.081 C ATOM 24 N LIG 1 -4.827 -5.714 0.065 0.00 0.00 -0.316 NA ATOM 25 H LIG 1 -5.559 -5.063 0.349 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 -4.481 -5.464 -1.338 0.00 0.00 +0.081 C ATOM 27 C LIG 1 -3.291 -4.519 -1.547 0.00 0.00 +0.019 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 28 ATOM 28 C LIG 1 -2.328 1.250 -1.597 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 -2.928 2.594 -1.133 0.00 0.00 +0.135 C BRANCH 29 30 ATOM 30 C LIG 1 -2.135 3.809 -1.605 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -1.013 4.284 -0.911 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -0.299 5.391 -1.376 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -0.696 6.039 -2.542 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -1.804 5.579 -3.248 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.517 4.470 -2.786 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -3.293 2.581 0.343 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -3.482 1.587 1.031 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.532 3.798 0.871 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -3.764 3.623 1.806 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 9