REMARK Name = BDB051738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.192 -0.163 -0.771 0.00 0.00 -0.311 N ATOM 2 H LIG 1 -2.716 -0.684 -1.466 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -3.132 0.225 0.173 0.00 0.00 +0.216 A ATOM 4 N LIG 1 -4.403 0.184 -0.241 0.00 0.00 -0.213 NA ATOM 5 C LIG 1 -5.326 0.572 0.652 0.00 0.00 +0.097 A ATOM 6 C LIG 1 -6.715 0.580 0.238 0.00 0.00 +0.091 A ATOM 7 N LIG 1 -7.310 0.086 -0.885 0.00 0.00 -0.264 N ATOM 8 C LIG 1 -6.681 -0.595 -1.992 0.00 0.00 +0.173 C ATOM 9 N LIG 1 -8.651 0.279 -0.904 0.00 0.00 -0.166 NA ATOM 10 C LIG 1 -8.916 0.945 0.243 0.00 0.00 +0.151 A ATOM 11 C LIG 1 -7.728 1.147 0.986 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -7.457 1.841 2.277 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -6.143 1.336 2.925 0.00 0.00 +0.043 C ATOM 14 C LIG 1 -5.048 0.992 1.944 0.00 0.00 -0.001 A ATOM 15 C LIG 1 -3.717 0.969 2.270 0.00 0.00 +0.120 A ATOM 16 N LIG 1 -2.752 0.597 1.406 0.00 0.00 -0.223 NA BRANCH 10 17 ATOM 17 C LIG 1 -10.279 1.373 0.588 0.00 0.00 +0.262 C ATOM 18 O LIG 1 -10.570 1.996 1.603 0.00 0.00 -0.269 OA ATOM 19 N LIG 1 -11.224 1.022 -0.335 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -12.181 1.311 -0.211 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -10.918 0.546 -1.177 0.00 0.00 +0.145 HD ENDBRANCH 10 17 ENDBRANCH 1 3 BRANCH 1 26 ATOM 22 C LIG 1 3.062 -0.646 -1.943 0.00 0.00 +0.219 C ATOM 23 N LIG 1 1.800 -0.673 -1.356 0.00 0.00 -0.301 N ATOM 24 C LIG 1 1.486 -0.212 -0.002 0.00 0.00 +0.109 C ATOM 25 C LIG 1 0.053 0.291 0.114 0.00 0.00 +0.041 C ATOM 26 C LIG 1 -0.972 -0.792 -0.265 0.00 0.00 +0.076 C ATOM 27 C LIG 1 -0.416 -1.759 -1.327 0.00 0.00 +0.041 C ATOM 28 C LIG 1 0.670 -1.113 -2.176 0.00 0.00 +0.109 C ATOM 29 O LIG 1 3.221 -0.934 -3.131 0.00 0.00 -0.275 OA BRANCH 22 34 ATOM 30 C LIG 1 8.040 -0.984 0.732 0.00 0.00 +0.403 C ATOM 31 N LIG 1 6.918 -0.902 -0.071 0.00 0.00 -0.267 N ATOM 32 C LIG 1 5.903 -1.941 -0.015 0.00 0.00 +0.112 C ATOM 33 C LIG 1 4.502 -1.337 0.025 0.00 0.00 +0.032 C ATOM 34 C LIG 1 4.260 -0.273 -1.064 0.00 0.00 +0.078 C ATOM 35 C LIG 1 5.515 -0.039 -1.924 0.00 0.00 +0.032 C ATOM 36 C LIG 1 6.747 0.164 -1.051 0.00 0.00 +0.112 C ATOM 37 O LIG 1 8.251 -1.887 1.533 0.00 0.00 -0.226 OA BRANCH 30 38 ATOM 38 O LIG 1 8.888 0.064 0.536 0.00 0.00 -0.451 OA BRANCH 38 40 ATOM 39 C LIG 1 10.907 1.247 1.009 0.00 0.00 +0.048 C ATOM 40 C LIG 1 10.070 0.027 1.343 0.00 0.00 +0.230 C ENDBRANCH 38 40 ENDBRANCH 30 38 ENDBRANCH 22 34 ENDBRANCH 1 26 TORSDOF 6