REMARK Name = BDB061348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.695 0.126 -0.710 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.501 0.311 0.659 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.209 0.450 1.201 0.00 0.00 -0.038 A ATOM 4 C LIG 1 4.080 0.639 2.694 0.00 0.00 +0.036 C ATOM 5 C LIG 1 2.726 1.205 3.111 0.00 0.00 +0.009 C ATOM 6 C LIG 1 1.603 0.409 2.458 0.00 0.00 +0.063 C ATOM 7 C LIG 1 1.676 0.518 0.927 0.00 0.00 +0.216 C ATOM 8 C LIG 1 0.651 -0.426 0.328 0.00 0.00 +0.273 C ATOM 9 O LIG 1 0.682 -1.648 0.331 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -0.324 0.344 -0.213 0.00 0.00 -0.195 N ATOM 11 C LIG 1 -0.038 1.652 -0.066 0.00 0.00 +0.411 C ATOM 12 O LIG 1 -0.732 2.586 -0.435 0.00 0.00 -0.226 OA ATOM 13 O LIG 1 1.173 1.810 0.535 0.00 0.00 -0.429 OA ATOM 14 C LIG 1 3.079 0.365 0.362 0.00 0.00 +0.008 A ATOM 15 C LIG 1 3.286 0.190 -1.017 0.00 0.00 +0.010 A ATOM 16 C LIG 1 4.576 0.067 -1.543 0.00 0.00 +0.024 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 10.574 -0.138 -1.186 0.00 0.00 +0.129 C ATOM 18 N LIG 1 9.199 -0.192 -1.621 0.00 0.00 -0.302 N ATOM 19 H LIG 1 8.966 -0.944 -2.252 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 8.196 0.139 -0.726 0.00 0.00 +0.304 C ATOM 21 N LIG 1 6.960 -0.024 -1.312 0.00 0.00 -0.269 N ATOM 22 H LIG 1 6.974 -0.115 -2.316 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 8.430 0.529 0.409 0.00 0.00 -0.253 OA ENDBRANCH 1 21 BRANCH 10 24 ATOM 24 C LIG 1 -1.571 -0.163 -0.739 0.00 0.00 +0.215 C BRANCH 24 25 ATOM 25 C LIG 1 -2.580 -0.293 0.411 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -3.838 -0.818 0.110 0.00 0.00 -0.289 N ATOM 27 C LIG 1 -4.826 -0.892 1.203 0.00 0.00 +0.117 C ATOM 28 C LIG 1 -5.828 0.278 1.158 0.00 0.00 +0.251 C ATOM 29 O LIG 1 -6.700 0.213 0.016 0.00 0.00 -0.490 OA ATOM 30 C LIG 1 -6.156 0.828 -1.079 0.00 0.00 +0.125 A ATOM 31 C LIG 1 -5.024 0.317 -1.732 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -4.565 0.980 -2.880 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -5.227 2.113 -3.347 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -6.356 2.602 -2.703 0.00 0.00 +0.042 A ATOM 35 F LIG 1 -4.775 2.729 -4.447 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -6.830 1.950 -1.568 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -4.346 -0.942 -1.256 0.00 0.00 +0.147 C ATOM 38 O LIG 1 -2.270 0.040 1.559 0.00 0.00 -0.274 OA BRANCH 27 39 ATOM 39 C LIG 1 -5.512 -2.242 1.219 0.00 0.00 +0.013 C ATOM 40 C LIG 1 -4.722 -3.490 1.531 0.00 0.00 +0.006 C ATOM 41 C LIG 1 -5.729 -2.976 2.521 0.00 0.00 +0.006 C ENDBRANCH 27 39 ENDBRANCH 24 25 ENDBRANCH 10 24 TORSDOF 4