REMARK Name = BDB025071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.316 -2.034 0.624 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.684 -0.961 -0.029 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.498 0.097 -0.678 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.212 -0.438 -1.933 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.716 1.351 -1.101 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.677 1.709 -0.064 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.738 0.544 0.050 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.345 0.725 0.178 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.629 1.891 0.184 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -0.645 1.561 0.315 0.00 0.00 +0.121 A ATOM 11 N LIG 1 -0.768 0.180 0.430 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.501 -0.366 0.319 0.00 0.00 +0.069 A ATOM 13 C LIG 1 0.992 -1.674 0.327 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.377 -1.848 0.205 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.261 -0.768 0.076 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.763 -2.945 1.230 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.994 -0.584 0.656 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.992 -1.323 2.002 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.347 -1.971 2.311 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -4.088 -2.505 1.071 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.125 -2.763 -0.092 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.361 -1.507 -0.522 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -5.219 -1.585 0.644 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.483 -0.483 1.096 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.977 -2.119 -0.333 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -6.651 -1.431 -0.518 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -1.786 2.591 0.326 0.00 0.00 +0.048 C ATOM 28 C LIG 1 -2.337 2.695 1.770 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -1.207 3.997 -0.001 0.00 0.00 +0.024 C BRANCH 27 30 ATOM 30 C LIG 1 -2.841 2.294 -0.759 0.00 0.00 -0.034 A ATOM 31 C LIG 1 -2.431 2.048 -2.086 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -3.358 1.780 -3.096 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.718 1.757 -2.804 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.148 2.005 -1.504 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.221 2.274 -0.492 0.00 0.00 +0.004 A ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 37 ATOM 36 C LIG 1 7.375 -2.999 1.234 0.00 0.00 +0.282 C ATOM 37 O LIG 1 6.681 -1.948 0.560 0.00 0.00 -0.453 OA ENDBRANCH 1 37 TORSDOF 6