REMARK Name = BDB022909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.804 0.397 -3.026 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.816 0.734 -1.907 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -2.000 -0.151 -0.731 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.539 0.341 0.459 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -1.917 0.268 1.524 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.968 -1.181 -0.544 0.00 0.00 +0.163 C ATOM 7 C LIG 1 0.421 -0.586 -0.559 0.00 0.00 +0.067 A ATOM 8 C LIG 1 0.682 0.371 -1.518 0.00 0.00 -0.005 A ATOM 9 C LIG 1 1.962 0.862 -1.529 0.00 0.00 +0.120 A ATOM 10 N LIG 1 2.910 0.467 -0.659 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 2.569 -0.463 0.251 0.00 0.00 +0.220 A ATOM 12 N LIG 1 1.350 -1.023 0.315 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -0.377 0.724 -2.509 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.970 0.885 0.493 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -5.017 -0.123 -0.032 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -6.437 0.467 0.131 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -6.556 1.794 -0.502 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -7.926 2.296 -0.371 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -5.605 2.749 0.083 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -4.170 2.264 -0.132 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.944 -1.504 0.607 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.920 -2.643 -0.215 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.856 -3.923 0.339 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.817 -4.082 1.721 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.845 -2.963 2.550 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.912 -1.682 1.997 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 3.481 -0.933 1.198 0.00 0.00 -0.281 N ATOM 28 H LIG 1 2.984 -1.606 1.769 0.00 0.00 +0.155 HD BRANCH 27 29 ATOM 29 C LIG 1 4.767 -0.621 1.441 0.00 0.00 +0.071 A ATOM 30 C LIG 1 5.572 0.290 0.805 0.00 0.00 +0.131 A ATOM 31 N LIG 1 6.789 0.216 1.420 0.00 0.00 -0.267 N ATOM 32 N LIG 1 6.827 -0.676 2.431 0.00 0.00 -0.178 NA ATOM 33 C LIG 1 5.589 -1.183 2.440 0.00 0.00 +0.157 A BRANCH 31 34 ATOM 34 C LIG 1 7.970 0.995 1.097 0.00 0.00 +0.177 C BRANCH 34 35 ATOM 35 C LIG 1 8.847 0.380 -0.014 0.00 0.00 +0.080 C ATOM 36 C LIG 1 10.097 1.250 -0.192 0.00 0.00 +0.043 C ATOM 37 C LIG 1 9.271 -1.063 0.273 0.00 0.00 +0.043 C BRANCH 35 38 ATOM 38 O LIG 1 8.158 0.416 -1.272 0.00 0.00 -0.387 OA ATOM 39 H LIG 1 7.454 -0.258 -1.250 0.00 0.00 +0.210 HD ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 7