REMARK Name = BDB039310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.545 -0.918 -0.431 0.00 0.00 -0.001 A ATOM 2 C LIG 1 1.669 -1.361 0.289 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.884 -0.737 0.062 0.00 0.00 -0.017 A ATOM 4 C LIG 1 4.215 -0.982 0.689 0.00 0.00 +0.144 C ATOM 5 N LIG 1 5.085 -0.067 -0.036 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.369 0.773 -0.876 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.768 1.730 -1.511 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.977 0.309 -0.854 0.00 0.00 +0.042 A ATOM 9 C LIG 1 1.892 0.775 -1.570 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.662 0.149 -1.352 0.00 0.00 +0.011 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 -3.015 -1.532 0.727 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.280 -2.768 0.247 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -2.290 -3.460 -0.499 0.00 0.00 +0.066 A ATOM 14 N LIG 1 -1.069 -2.834 -0.711 0.00 0.00 -0.299 N ATOM 15 C LIG 1 -0.323 -3.710 -1.466 0.00 0.00 +0.204 A ATOM 16 N LIG 1 -0.966 -4.830 -1.721 0.00 0.00 -0.243 NA ATOM 17 C LIG 1 -0.761 -1.559 -0.214 0.00 0.00 +0.055 A ATOM 18 C LIG 1 -2.193 -4.681 -1.126 0.00 0.00 +0.138 A ATOM 19 C LIG 1 -1.706 -0.909 0.497 0.00 0.00 +0.031 A BRANCH 11 20 ATOM 20 C LIG 1 -4.027 -0.743 1.535 0.00 0.00 +0.119 C BRANCH 20 24 ATOM 21 C LIG 1 -6.378 1.509 -2.204 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -5.840 1.639 -0.780 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -5.028 0.400 -0.374 0.00 0.00 +0.088 C ATOM 24 N LIG 1 -4.379 0.558 0.941 0.00 0.00 -0.298 NA ATOM 25 C LIG 1 -5.144 1.396 1.876 0.00 0.00 +0.085 C ATOM 26 C LIG 1 -6.648 1.383 1.622 0.00 0.00 +0.016 C ATOM 27 C LIG 1 -6.985 1.879 0.216 0.00 0.00 +0.006 C ENDBRANCH 20 24 ENDBRANCH 11 20 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 6.455 0.182 0.401 0.00 0.00 +0.163 C ATOM 29 C LIG 1 6.508 1.309 1.444 0.00 0.00 +0.240 C ATOM 30 O LIG 1 5.599 1.541 2.240 0.00 0.00 -0.273 OA ATOM 31 N LIG 1 7.699 1.993 1.532 0.00 0.00 -0.255 N ATOM 32 H LIG 1 7.744 2.712 2.241 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 8.865 1.747 0.850 0.00 0.00 +0.219 C ATOM 34 O LIG 1 9.899 2.348 1.129 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 8.828 0.645 -0.183 0.00 0.00 +0.098 C ATOM 36 C LIG 1 7.427 0.463 -0.745 0.00 0.00 +0.041 C ENDBRANCH 5 28 TORSDOF 4