REMARK Name = BDB024321 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.713 1.353 -0.336 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.706 2.844 -0.646 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.193 3.744 0.317 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.181 5.120 0.082 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.678 5.619 -1.117 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.181 4.744 -2.079 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.189 3.367 -1.843 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.524 0.993 0.602 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.640 0.753 -0.105 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.581 0.918 -1.103 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.679 0.958 1.820 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.859 0.339 0.431 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.963 0.016 1.730 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 3.174 -0.385 2.191 0.00 0.00 +0.123 A ATOM 15 C LIG 1 4.316 -0.498 1.410 0.00 0.00 +0.022 A ATOM 16 C LIG 1 4.180 -0.164 0.062 0.00 0.00 +0.015 A ATOM 17 C LIG 1 2.944 0.259 -0.434 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.593 -0.927 1.940 0.00 0.00 +0.114 A ATOM 19 N LIG 1 6.742 -0.990 1.191 0.00 0.00 -0.129 NA ATOM 20 N LIG 1 7.726 -1.420 1.970 0.00 0.00 -0.065 NA ATOM 21 N LIG 1 7.208 -1.622 3.190 0.00 0.00 -0.254 N ATOM 22 C LIG 1 8.045 -2.103 4.256 0.00 0.00 +0.174 C ATOM 23 C LIG 1 5.876 -1.337 3.225 0.00 0.00 +0.138 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.649 0.480 -1.546 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.415 -0.463 -1.225 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.944 0.390 -2.250 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -5.323 -0.465 -2.386 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.048 -0.432 -1.531 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -3.581 -1.836 -1.169 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -3.322 -2.804 -2.150 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -2.868 -4.078 -1.793 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -2.662 -4.400 -0.449 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -2.909 -3.439 0.535 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -3.366 -2.169 0.177 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -2.202 -5.707 -0.082 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -1.836 -6.768 0.218 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9