REMARK Name = BDB037859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.410 -2.765 1.097 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.302 -1.684 1.102 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.249 -0.647 2.017 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.405 0.142 1.780 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.069 -0.322 0.708 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 -0.155 -0.569 3.042 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.101 -1.251 2.442 0.00 0.00 +0.168 C ATOM 8 N LIG 1 -2.382 -1.410 0.296 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.732 -2.666 1.932 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.469 -3.630 2.154 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.918 1.271 2.577 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.331 2.404 1.892 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.207 2.675 0.489 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -3.365 4.160 0.290 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -3.564 4.775 1.653 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -2.078 3.475 -0.084 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.824 3.586 2.611 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -2.957 1.223 3.807 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -5.264 3.465 2.918 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -6.402 3.401 3.145 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.838 -2.050 -0.932 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.153 -2.799 -0.719 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.553 -3.544 -1.989 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -3.958 -2.990 -3.165 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -3.954 -1.567 -3.151 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -2.954 -1.068 -2.115 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 1.672 -0.543 1.285 0.00 0.00 -0.298 N ATOM 28 H LIG 1 1.069 -0.434 0.483 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.038 -0.504 1.065 0.00 0.00 +0.265 C ATOM 30 O LIG 1 3.842 -0.885 1.910 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 3.433 0.039 -0.254 0.00 0.00 +0.147 A ATOM 32 N LIG 1 4.688 -0.088 -0.719 0.00 0.00 -0.166 NA ATOM 33 N LIG 1 4.691 0.511 -1.922 0.00 0.00 -0.265 N ATOM 34 C LIG 1 3.468 1.030 -2.251 0.00 0.00 +0.109 A ATOM 35 C LIG 1 2.634 0.747 -1.197 0.00 0.00 +0.054 A BRANCH 33 36 ATOM 36 C LIG 1 5.922 0.567 -2.734 0.00 0.00 +0.055 C ATOM 37 C LIG 1 7.109 -0.142 -2.042 0.00 0.00 +0.036 C ATOM 38 C LIG 1 5.679 -0.127 -4.088 0.00 0.00 +0.036 C ATOM 39 C LIG 1 6.318 2.037 -2.969 0.00 0.00 +0.036 C ENDBRANCH 33 36 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 0.079 0.789 3.678 0.00 0.00 -0.001 C ATOM 41 C LIG 1 1.432 1.435 3.873 0.00 0.00 +0.004 C ATOM 42 C LIG 1 0.464 2.012 2.878 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 0.214 -4.255 -0.777 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -0.635 -4.066 0.472 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 8