REMARK Name = BDB032757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.054 -1.120 -0.080 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.403 -0.502 -1.138 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.798 0.410 -1.838 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.093 -1.150 -1.268 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.963 -2.074 -0.234 0.00 0.00 -0.018 A ATOM 6 C LIG 1 1.809 -2.825 -0.110 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.792 -2.631 -1.053 0.00 0.00 +0.007 A ATOM 8 C LIG 1 0.931 -1.697 -2.108 0.00 0.00 -0.010 A ATOM 9 C LIG 1 2.103 -0.934 -2.208 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.181 -2.048 0.626 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.279 2.067 1.457 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.385 1.301 1.108 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.097 1.469 1.550 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.934 2.269 2.145 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.029 0.617 1.385 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.978 0.816 1.994 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.288 -0.630 0.525 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.406 -0.365 -0.483 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.657 0.082 0.258 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 -0.196 -1.488 -3.088 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -1.179 -0.634 -2.494 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.133 0.667 -2.859 0.00 0.00 +0.405 C ATOM 23 N LIG 1 -2.050 1.484 -2.254 0.00 0.00 -0.250 N ATOM 24 H LIG 1 -1.965 2.434 -2.595 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 -0.351 1.132 -3.682 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.033 1.240 -1.278 0.00 0.00 +0.055 A ATOM 27 C LIG 1 -3.844 2.301 -0.884 0.00 0.00 +0.136 A ATOM 28 N LIG 1 -4.835 2.226 0.039 0.00 0.00 -0.238 NA ATOM 29 C LIG 1 -5.075 1.037 0.628 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -4.290 -0.070 0.307 0.00 0.00 +0.045 A ATOM 31 C LIG 1 -3.271 0.029 -0.649 0.00 0.00 +0.028 A BRANCH 29 32 ATOM 32 N LIG 1 -6.075 0.949 1.590 0.00 0.00 -0.311 N ATOM 33 C LIG 1 -6.721 2.220 1.963 0.00 0.00 +0.134 C ATOM 34 C LIG 1 -7.772 1.953 3.052 0.00 0.00 +0.178 C ATOM 35 O LIG 1 -8.817 1.053 2.647 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 -8.444 0.209 1.550 0.00 0.00 +0.178 C ATOM 37 C LIG 1 -6.967 -0.224 1.578 0.00 0.00 +0.134 C ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6