REMARK Name = BDB039316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.132 -0.684 -0.292 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.451 -0.549 0.905 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.849 -0.770 2.031 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.118 -0.032 0.580 0.00 0.00 +0.042 A ATOM 5 C LIG 1 3.068 0.204 -0.792 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.915 0.704 -1.374 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.808 0.966 -0.547 0.00 0.00 -0.001 A ATOM 8 C LIG 1 0.881 0.718 0.843 0.00 0.00 +0.011 A ATOM 9 C LIG 1 2.050 0.215 1.421 0.00 0.00 +0.014 A ATOM 10 C LIG 1 4.379 -0.141 -1.413 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.980 -1.414 2.934 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.242 -1.330 1.954 0.00 0.00 +0.219 C ATOM 13 N LIG 1 8.206 -0.181 1.210 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.759 0.584 1.570 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 7.411 0.113 0.132 0.00 0.00 +0.240 C ATOM 16 O LIG 1 7.375 1.254 -0.329 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.546 -1.017 -0.427 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.951 -2.402 0.072 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.331 -2.457 1.541 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -0.434 1.493 -1.132 0.00 0.00 +0.055 A ATOM 21 N LIG 1 -0.565 2.823 -1.559 0.00 0.00 -0.299 N ATOM 22 C LIG 1 -1.727 3.329 -2.128 0.00 0.00 +0.066 A ATOM 23 C LIG 1 -1.454 4.646 -2.416 0.00 0.00 +0.138 A ATOM 24 N LIG 1 -0.175 4.973 -2.043 0.00 0.00 -0.243 NA ATOM 25 C LIG 1 -2.839 2.459 -2.272 0.00 0.00 +0.032 A ATOM 26 C LIG 1 -2.745 1.175 -1.859 0.00 0.00 -0.029 A ATOM 27 C LIG 1 0.326 3.871 -1.526 0.00 0.00 +0.204 A ATOM 28 C LIG 1 -1.495 0.671 -1.277 0.00 0.00 +0.031 A BRANCH 26 29 ATOM 29 C LIG 1 -3.895 0.196 -1.989 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 -4.301 -0.413 -0.710 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 -4.942 0.580 0.179 0.00 0.00 +0.085 C ATOM 32 C LIG 1 -5.346 -0.039 1.526 0.00 0.00 +0.022 C ATOM 33 C LIG 1 -6.230 -1.247 1.315 0.00 0.00 -0.027 C ATOM 34 C LIG 1 -7.733 -1.076 1.365 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -7.022 -1.774 2.491 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -5.636 -2.240 0.344 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -5.223 -1.541 -0.959 0.00 0.00 +0.085 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 7 20 TORSDOF 4