REMARK Name = BDB039351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.409 -0.174 -1.010 0.00 0.00 +0.055 A ATOM 2 N LIG 1 -0.952 -0.299 -2.297 0.00 0.00 -0.299 N ATOM 3 C LIG 1 -2.261 -0.691 -2.534 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -2.400 -0.709 -3.902 0.00 0.00 +0.138 A ATOM 5 N LIG 1 -1.230 -0.338 -4.517 0.00 0.00 -0.243 NA ATOM 6 C LIG 1 -3.093 -0.962 -1.417 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -2.610 -0.810 -0.162 0.00 0.00 -0.029 A ATOM 8 C LIG 1 -0.388 -0.094 -3.535 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -1.208 -0.431 0.048 0.00 0.00 +0.031 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.603 -0.178 -0.485 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.059 1.050 -0.136 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.629 2.044 0.267 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.608 0.939 -0.321 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.317 -0.373 -0.687 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.007 -0.759 -0.917 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.993 0.203 -0.777 0.00 0.00 -0.001 A ATOM 17 C LIG 1 1.311 1.528 -0.400 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.635 1.907 -0.166 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.572 -1.176 -0.740 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.734 -0.419 1.509 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.619 -0.389 0.997 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.499 -0.710 1.722 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.652 -0.934 2.696 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.209 -0.859 1.266 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.335 -1.303 2.009 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.985 -0.567 -0.226 0.00 0.00 +0.163 C ATOM 27 C LIG 1 8.015 0.440 -0.737 0.00 0.00 +0.041 C ATOM 28 C LIG 1 9.415 -0.092 -0.471 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 -3.460 -1.107 1.057 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 N LIG 1 -4.063 0.019 1.766 0.00 0.00 -0.291 NA ATOM 31 C LIG 1 -4.931 0.899 0.967 0.00 0.00 +0.087 C ATOM 32 C LIG 1 -5.106 2.139 1.861 0.00 0.00 +0.025 C ATOM 33 C LIG 1 -4.091 1.971 2.987 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -3.148 0.891 2.487 0.00 0.00 +0.085 C BRANCH 31 35 ATOM 35 C LIG 1 -6.257 0.277 0.584 0.00 0.00 -0.030 A ATOM 36 C LIG 1 -7.027 -0.441 1.513 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -8.252 -0.999 1.144 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.726 -0.843 -0.157 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.977 -0.127 -1.088 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.751 0.432 -0.720 0.00 0.00 +0.005 A ENDBRANCH 31 35 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 5