REMARK Name = BDB014090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.100 3.909 -3.514 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.067 2.952 -2.743 0.00 0.00 +0.248 C ATOM 3 C LIG 1 -1.129 2.075 -2.744 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.846 1.836 -1.561 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -3.030 1.081 -1.588 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -3.480 0.577 -2.819 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -2.774 0.830 -3.998 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.837 0.848 -0.327 0.00 0.00 +0.182 C ATOM 9 N LIG 1 -3.118 0.077 0.685 0.00 0.00 -0.222 N ATOM 10 N LIG 1 -2.859 -1.250 0.381 0.00 0.00 -0.130 NA ATOM 11 C LIG 1 -2.143 -1.905 1.229 0.00 0.00 +0.233 A ATOM 12 C LIG 1 -1.658 -1.426 2.520 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -1.912 -0.146 2.793 0.00 0.00 +0.077 A ATOM 14 O LIG 1 -1.677 -3.158 1.017 0.00 0.00 -0.475 OA ATOM 15 C LIG 1 -1.841 -3.739 -0.293 0.00 0.00 +0.232 C ATOM 16 C LIG 1 -0.674 -3.382 -1.219 0.00 0.00 +0.060 C ATOM 17 C LIG 1 -0.726 -1.930 -1.678 0.00 0.00 +0.108 C ATOM 18 N LIG 1 0.299 -1.608 -2.650 0.00 0.00 -0.310 N ATOM 19 H LIG 1 0.135 -1.929 -3.595 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 0.962 -0.393 -2.663 0.00 0.00 +0.266 C ATOM 21 O LIG 1 1.286 0.086 -3.751 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 1.301 0.256 -1.382 0.00 0.00 +0.168 A ATOM 23 C LIG 1 1.399 1.653 -1.092 0.00 0.00 +0.084 A ATOM 24 C LIG 1 2.042 1.719 0.122 0.00 0.00 +0.132 A ATOM 25 N LIG 1 2.185 0.433 0.551 0.00 0.00 -0.266 N ATOM 26 N LIG 1 1.723 -0.473 -0.324 0.00 0.00 -0.164 NA ATOM 27 C LIG 1 -2.642 0.710 1.828 0.00 0.00 +0.268 A ATOM 28 O LIG 1 -2.783 1.902 2.090 0.00 0.00 -0.266 OA ATOM 29 C LIG 1 -1.607 1.591 -3.964 0.00 0.00 +0.013 A ATOM 30 N LIG 1 1.040 2.795 -1.784 0.00 0.00 -0.278 N ATOM 31 H LIG 1 1.588 3.629 -1.617 0.00 0.00 +0.155 HD ENDROOT BRANCH 25 32 ATOM 32 C LIG 1 2.795 -0.019 1.795 0.00 0.00 +0.112 C ATOM 33 C LIG 1 4.274 0.361 1.877 0.00 0.00 +0.055 C ATOM 34 C LIG 1 4.894 -0.190 3.158 0.00 0.00 +0.162 C ATOM 35 O LIG 1 3.949 -0.357 4.216 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 2.946 0.651 4.229 0.00 0.00 +0.162 C ATOM 37 C LIG 1 2.023 0.467 3.032 0.00 0.00 +0.055 C ENDBRANCH 25 32 TORSDOF 1