REMARK Name = BDB039452 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.929 2.469 0.051 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -2.260 3.300 -1.037 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.227 3.745 -1.852 0.00 0.00 +0.139 A ATOM 4 N LIG 1 -1.766 4.532 -2.832 0.00 0.00 -0.346 N ATOM 5 H LIG 1 -1.219 4.973 -3.556 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 -3.126 4.606 -2.674 0.00 0.00 +0.085 A ATOM 7 N LIG 1 0.085 3.476 -1.740 0.00 0.00 -0.229 NA ATOM 8 C LIG 1 0.391 2.658 -0.705 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -3.461 3.850 -1.571 0.00 0.00 +0.029 A ATOM 10 C LIG 1 -0.562 2.155 0.190 0.00 0.00 +0.034 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 1.830 2.334 -0.574 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.266 1.040 -0.213 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.626 0.786 -0.102 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.333 -0.484 0.236 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.731 -0.072 0.261 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.896 1.239 -0.162 0.00 0.00 +0.248 C ATOM 17 O LIG 1 6.937 1.840 -0.346 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.552 1.795 -0.350 0.00 0.00 +0.042 A ATOM 19 C LIG 1 4.180 3.071 -0.716 0.00 0.00 +0.014 A ATOM 20 C LIG 1 2.811 3.331 -0.827 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.846 -1.010 0.315 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.961 -1.859 -0.963 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.332 -1.650 -1.997 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.830 -2.924 -0.882 0.00 0.00 -0.255 N ATOM 25 H LIG 1 7.883 -3.487 -1.721 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.174 -3.586 0.269 0.00 0.00 +0.219 C ATOM 27 O LIG 1 8.606 -4.734 0.235 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.006 -2.822 1.562 0.00 0.00 +0.098 C ATOM 29 C LIG 1 6.767 -1.940 1.522 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 8 11 BRANCH 1 30 ATOM 30 C LIG 1 -2.944 1.923 1.028 0.00 0.00 +0.120 C BRANCH 30 33 ATOM 31 C LIG 1 -5.360 -0.814 0.652 0.00 0.00 +0.018 C ATOM 32 C LIG 1 -4.846 0.445 1.350 0.00 0.00 +0.089 C ATOM 33 N LIG 1 -3.763 0.854 0.456 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -3.019 -0.372 0.160 0.00 0.00 +0.085 C ATOM 35 C LIG 1 -4.073 -1.480 0.165 0.00 0.00 +0.021 C BRANCH 31 36 ATOM 36 C LIG 1 -6.243 -1.655 1.587 0.00 0.00 +0.088 C BRANCH 36 38 ATOM 37 C LIG 1 -7.817 -2.493 -0.087 0.00 0.00 +0.104 C ATOM 38 N LIG 1 -6.950 -2.821 1.041 0.00 0.00 -0.308 NA ATOM 39 C LIG 1 -6.092 -3.957 0.733 0.00 0.00 +0.104 C ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 30 33 ENDBRANCH 1 30 TORSDOF 6