REMARK Name = BDB021644 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.601 -0.722 -1.685 0.00 0.00 +0.062 A ATOM 2 N LIG 1 -3.725 -1.433 -0.936 0.00 0.00 -0.216 NA ATOM 3 C LIG 1 -2.398 -1.117 -0.920 0.00 0.00 +0.228 A ATOM 4 O LIG 1 -1.780 -1.986 -0.095 0.00 0.00 -0.468 OA ATOM 5 C LIG 1 -0.391 -1.981 0.203 0.00 0.00 +0.122 C ATOM 6 C LIG 1 0.159 -0.568 0.425 0.00 0.00 +0.155 C ATOM 7 N LIG 1 0.472 0.092 -0.827 0.00 0.00 -0.291 N ATOM 8 C LIG 1 -0.489 0.420 -1.767 0.00 0.00 +0.252 C ATOM 9 O LIG 1 -0.195 1.166 -2.707 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.366 -2.792 -0.857 0.00 0.00 +0.057 C ATOM 11 C LIG 1 -0.287 -2.737 1.541 0.00 0.00 +0.057 C ATOM 12 C LIG 1 -1.894 -0.055 -1.657 0.00 0.00 +0.098 A ATOM 13 C LIG 1 -2.821 0.674 -2.431 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -4.174 0.348 -2.450 0.00 0.00 +0.026 A ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -6.235 -2.595 -2.088 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -6.079 -1.124 -1.673 0.00 0.00 +0.102 C BRANCH 16 17 ATOM 17 N LIG 1 -6.886 -0.861 -0.455 0.00 0.00 -0.293 NA ATOM 18 C LIG 1 -6.730 0.521 0.062 0.00 0.00 +0.097 C ATOM 19 C LIG 1 -6.064 -0.047 1.277 0.00 0.00 +0.043 C ATOM 20 C LIG 1 -6.511 0.385 2.633 0.00 0.00 +0.171 C ATOM 21 O LIG 1 -5.202 0.982 2.884 0.00 0.00 -0.378 OA ATOM 22 C LIG 1 -4.687 0.391 1.649 0.00 0.00 +0.171 C ATOM 23 C LIG 1 -6.324 -1.436 0.792 0.00 0.00 +0.097 C ENDBRANCH 16 17 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 C LIG 1 1.837 0.623 -0.993 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 2.000 2.036 -0.393 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 1.158 2.994 -1.057 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 0.734 2.546 -1.820 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.458 2.532 -0.507 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 4.447 1.671 0.168 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 5.804 1.979 -0.333 0.00 0.00 +0.120 C ATOM 31 C LIG 1 6.902 1.226 0.393 0.00 0.00 -0.030 A ATOM 32 C LIG 1 6.686 0.706 1.682 0.00 0.00 -0.042 A ATOM 33 C LIG 1 7.722 0.032 2.345 0.00 0.00 +0.004 A ATOM 34 C LIG 1 8.972 -0.101 1.743 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.195 0.428 0.473 0.00 0.00 +0.000 A ATOM 36 C LIG 1 5.323 0.814 2.317 0.00 0.00 +0.051 C ATOM 37 C LIG 1 8.168 1.095 -0.196 0.00 0.00 +0.005 A ATOM 38 C LIG 1 4.425 1.855 1.629 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 7