REMARK Name = BDB008732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.972 1.037 -0.894 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.666 1.061 -0.596 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.008 -0.104 -0.602 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.574 -1.331 -0.862 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.943 -1.368 -1.129 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.641 -0.153 -1.163 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.628 -2.622 -1.408 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.771 -3.683 -0.522 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -3.409 -4.839 -0.951 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -3.370 -5.726 0.149 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -2.770 -5.169 1.210 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -3.903 -7.106 0.212 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -3.925 -4.992 -2.188 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -3.774 -3.912 -2.962 0.00 0.00 +0.222 A ATOM 15 N LIG 1 -2.448 -3.926 0.788 0.00 0.00 -0.263 N ATOM 16 C LIG 1 -1.860 -3.019 1.747 0.00 0.00 +0.173 C ATOM 17 N LIG 1 -3.172 -2.752 -2.642 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.231 3.496 -0.720 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.725 2.219 -0.934 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.697 2.126 -1.188 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.056 3.792 -0.515 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.331 4.592 -0.832 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.502 4.351 0.123 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -2.443 6.349 0.663 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -2.743 5.950 -0.709 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -1.850 5.925 -1.214 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 C LIG 1 1.398 0.008 -0.302 0.00 0.00 -0.041 C ATOM 28 C LIG 1 2.566 0.121 -0.045 0.00 0.00 -0.059 C BRANCH 28 29 ATOM 29 C LIG 1 3.946 0.281 0.264 0.00 0.00 +0.029 A ATOM 30 C LIG 1 4.425 1.488 0.636 0.00 0.00 +0.044 A ATOM 31 C LIG 1 5.807 1.631 0.944 0.00 0.00 +0.067 A ATOM 32 N LIG 1 6.620 0.510 0.848 0.00 0.00 -0.303 N ATOM 33 C LIG 1 7.895 0.919 1.196 0.00 0.00 +0.111 A ATOM 34 N LIG 1 7.921 2.204 1.499 0.00 0.00 -0.240 NA ATOM 35 C LIG 1 9.064 0.005 1.217 0.00 0.00 +0.086 C ATOM 36 C LIG 1 6.135 -0.740 0.463 0.00 0.00 +0.094 A ATOM 37 C LIG 1 6.634 2.652 1.345 0.00 0.00 +0.139 A ATOM 38 C LIG 1 4.830 -0.879 0.171 0.00 0.00 +0.035 A ENDBRANCH 28 29 ENDBRANCH 3 27 TORSDOF 6