REMARK Name = BDB015841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.234 -2.026 0.057 0.00 0.00 +0.162 A ATOM 2 N LIG 1 1.901 -1.887 -0.085 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 1.225 -2.812 -0.791 0.00 0.00 +0.130 A ATOM 4 C LIG 1 1.882 -3.891 -1.388 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.248 -3.943 -1.178 0.00 0.00 +0.125 A ATOM 6 N LIG 1 3.946 -3.039 -0.463 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.927 1.089 2.152 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.265 0.089 1.421 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.953 -0.990 0.827 0.00 0.00 +0.020 A ATOM 10 C LIG 1 5.348 -1.033 0.997 0.00 0.00 +0.011 A ATOM 11 C LIG 1 6.023 -0.048 1.721 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.316 1.008 2.294 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 2.448 4.768 5.145 0.00 0.00 +0.172 C ATOM 14 N LIG 1 2.529 3.804 4.076 0.00 0.00 -0.274 N ATOM 15 N LIG 1 1.549 3.751 3.158 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 1.940 2.768 2.342 0.00 0.00 +0.142 A ATOM 17 C LIG 1 3.168 2.184 2.734 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.519 2.887 3.869 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 1.218 -4.893 -2.201 0.00 0.00 +0.024 A ATOM 20 C LIG 1 1.495 -6.245 -2.179 0.00 0.00 +0.116 A ATOM 21 N LIG 1 0.649 -6.824 -3.082 0.00 0.00 -0.274 N ATOM 22 C LIG 1 0.556 -8.225 -3.415 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -0.164 -5.944 -3.692 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 0.189 -4.769 -3.163 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -0.165 -2.656 -0.949 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -0.619 -3.540 -0.723 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -0.814 -1.526 -0.282 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 -1.100 -0.390 -1.278 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -2.065 0.626 -0.654 0.00 0.00 +0.116 C ATOM 30 N LIG 1 -2.409 1.708 -1.574 0.00 0.00 -0.267 N ATOM 31 C LIG 1 -3.484 2.552 -1.354 0.00 0.00 +0.403 C ATOM 32 O LIG 1 -3.814 3.449 -2.119 0.00 0.00 -0.226 OA ATOM 33 C LIG 1 -1.558 1.913 -2.739 0.00 0.00 +0.111 C ATOM 34 C LIG 1 -0.092 1.696 -2.388 0.00 0.00 +0.019 C ATOM 35 C LIG 1 0.175 0.321 -1.765 0.00 0.00 +0.008 C BRANCH 31 36 ATOM 36 O LIG 1 -4.119 2.265 -0.187 0.00 0.00 -0.445 OA BRANCH 36 37 ATOM 37 C LIG 1 -5.266 3.036 0.250 0.00 0.00 +0.107 C ATOM 38 C LIG 1 -6.438 2.898 -0.728 0.00 0.00 +0.055 C ATOM 39 C LIG 1 -4.893 4.502 0.498 0.00 0.00 +0.055 C ATOM 40 C LIG 1 -5.671 2.402 1.590 0.00 0.00 +0.055 C ENDBRANCH 36 37 ENDBRANCH 31 36 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8