REMARK Name = BDB022172 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.255 2.424 2.784 0.00 0.00 +0.068 C ATOM 2 C LIG 1 -0.335 2.798 1.475 0.00 0.00 +0.066 A ATOM 3 C LIG 1 -0.694 1.947 0.403 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.625 0.473 0.218 0.00 0.00 +0.083 C ATOM 5 C LIG 1 -1.496 -0.007 -0.975 0.00 0.00 +0.171 C ATOM 6 C LIG 1 -1.768 1.054 -2.077 0.00 0.00 +0.240 C ATOM 7 N LIG 1 -1.656 2.392 -1.783 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -1.944 3.049 -2.496 0.00 0.00 +0.156 HD ATOM 9 O LIG 1 -2.242 0.729 -3.171 0.00 0.00 -0.273 OA ATOM 10 C LIG 1 -1.179 2.787 -0.564 0.00 0.00 +0.127 A ATOM 11 N LIG 1 -1.067 4.055 -0.075 0.00 0.00 -0.253 N ATOM 12 C LIG 1 -1.433 5.293 -0.716 0.00 0.00 +0.174 C ATOM 13 N LIG 1 -0.575 4.085 1.181 0.00 0.00 -0.175 NA ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 0.849 0.131 0.036 0.00 0.00 -0.038 A ATOM 15 C LIG 1 1.656 0.702 -0.958 0.00 0.00 +0.004 A ATOM 16 C LIG 1 3.001 0.335 -1.097 0.00 0.00 +0.004 A ATOM 17 C LIG 1 3.590 -0.623 -0.259 0.00 0.00 -0.042 A ATOM 18 C LIG 1 2.768 -1.203 0.724 0.00 0.00 +0.004 A ATOM 19 C LIG 1 1.426 -0.838 0.867 0.00 0.00 +0.004 A BRANCH 17 20 ATOM 20 C LIG 1 5.063 -1.049 -0.385 0.00 0.00 -0.013 C ATOM 21 C LIG 1 5.802 -0.761 0.940 0.00 0.00 +0.015 C ATOM 22 C LIG 1 5.832 -0.312 -1.506 0.00 0.00 +0.015 C ATOM 23 C LIG 1 5.142 -2.559 -0.693 0.00 0.00 +0.015 C ENDBRANCH 17 20 ENDBRANCH 4 14 BRANCH 5 24 ATOM 24 N LIG 1 -2.830 -0.497 -0.575 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -3.580 -0.308 -1.231 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -2.958 -1.638 0.190 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -2.003 -2.215 0.697 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.338 -2.175 0.352 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.468 -1.351 0.271 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -6.744 -1.898 0.432 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.893 -3.263 0.681 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.770 -4.083 0.777 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.494 -3.541 0.618 0.00 0.00 +0.013 A ENDBRANCH 26 28 ENDBRANCH 5 24 TORSDOF 4