REMARK Name = BDB037876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.313 2.002 0.729 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.762 1.170 0.356 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.593 -0.113 -0.146 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.887 -0.665 -0.327 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.807 0.229 0.060 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.756 -0.725 -0.368 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.717 0.444 -0.682 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.131 1.353 0.394 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.609 1.525 0.417 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.636 1.972 0.944 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.229 -1.995 -0.878 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.455 -2.566 -0.558 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.441 -2.098 0.372 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.344 -3.253 0.716 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.839 -4.455 -0.042 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.518 -2.591 1.784 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.816 -3.900 -1.063 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.435 -2.608 -1.595 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.415 -3.818 -2.412 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.914 -3.773 -3.460 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.984 2.520 0.593 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -2.593 3.760 -0.206 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -3.629 4.868 -0.023 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -4.327 4.806 1.221 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -3.546 4.290 2.292 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.296 2.806 2.067 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.123 0.058 -0.812 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.767 0.553 -0.203 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.589 -0.598 -1.926 0.00 0.00 +0.245 C ATOM 30 O LIG 1 2.858 -0.952 -2.843 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.058 -0.845 -1.988 0.00 0.00 +0.039 A ATOM 32 C LIG 1 5.835 -0.935 -0.818 0.00 0.00 +0.042 A ATOM 33 C LIG 1 7.202 -1.176 -0.996 0.00 0.00 +0.087 A ATOM 34 C LIG 1 7.800 -1.335 -2.238 0.00 0.00 +0.112 A ATOM 35 N LIG 1 9.141 -1.557 -2.075 0.00 0.00 -0.130 NA ATOM 36 N LIG 1 9.405 -1.547 -0.774 0.00 0.00 -0.067 NA ATOM 37 C LIG 1 7.016 -1.259 -3.396 0.00 0.00 +0.032 A ATOM 38 N LIG 1 8.249 -1.325 -0.129 0.00 0.00 -0.257 N ATOM 39 H LIG 1 8.256 -1.287 0.882 0.00 0.00 +0.191 HD ATOM 40 C LIG 1 5.641 -1.017 -3.255 0.00 0.00 +0.015 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 1.222 -1.534 0.839 0.00 0.00 -0.001 C ATOM 42 C LIG 1 0.763 -2.958 1.041 0.00 0.00 +0.004 C ATOM 43 C LIG 1 2.191 -2.680 0.672 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 0.875 4.399 1.172 0.00 0.00 +0.025 C ATOM 45 C LIG 1 0.264 3.099 1.690 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 7