REMARK Name = BDB037028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.878 -1.126 -3.904 0.00 0.00 -0.338 N ATOM 2 H LIG 1 2.752 -1.821 -3.158 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 3.275 0.105 -3.347 0.00 0.00 +0.040 A ATOM 4 C LIG 1 3.396 0.291 -1.976 0.00 0.00 +0.070 A ATOM 5 C LIG 1 3.149 -0.633 -0.865 0.00 0.00 +0.256 C ATOM 6 N LIG 1 3.350 0.070 0.292 0.00 0.00 -0.222 N ATOM 7 C LIG 1 3.623 1.387 0.027 0.00 0.00 +0.255 C ATOM 8 O LIG 1 3.744 2.310 0.810 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 2.781 -1.787 -1.007 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 3.697 1.524 -1.423 0.00 0.00 +0.051 A ATOM 11 C LIG 1 3.936 2.642 -2.196 0.00 0.00 +0.014 A ATOM 12 C LIG 1 3.870 2.480 -3.580 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.543 1.229 -4.146 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 2.969 -0.376 1.624 0.00 0.00 +0.171 C ATOM 15 C LIG 1 1.446 -0.291 1.770 0.00 0.00 +0.240 C ATOM 16 O LIG 1 0.688 0.123 0.892 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 0.962 -0.744 2.973 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -0.048 -0.642 3.080 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 1.500 -1.806 3.654 0.00 0.00 +0.219 C ATOM 20 O LIG 1 0.823 -2.498 4.407 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 2.980 -2.060 3.446 0.00 0.00 +0.098 C ATOM 22 C LIG 1 3.407 -1.782 2.008 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 1.642 -1.053 -4.715 0.00 0.00 +0.160 C BRANCH 23 27 ATOM 24 N LIG 1 -1.156 0.068 -2.688 0.00 0.00 -0.251 N ATOM 25 N LIG 1 -1.387 0.703 -3.847 0.00 0.00 -0.065 NA ATOM 26 N LIG 1 -0.416 0.369 -4.687 0.00 0.00 -0.133 NA ATOM 27 C LIG 1 0.413 -0.518 -4.051 0.00 0.00 +0.100 A ATOM 28 C LIG 1 -0.074 -0.750 -2.781 0.00 0.00 +0.135 A BRANCH 24 29 ATOM 29 C LIG 1 -2.013 0.259 -1.540 0.00 0.00 +0.150 C BRANCH 29 33 ATOM 30 C LIG 1 -2.455 0.400 2.053 0.00 0.00 +0.403 C ATOM 31 N LIG 1 -2.403 1.563 1.303 0.00 0.00 -0.267 N ATOM 32 C LIG 1 -3.180 1.777 0.088 0.00 0.00 +0.116 C ATOM 33 C LIG 1 -2.254 1.727 -1.138 0.00 0.00 +0.028 C ATOM 34 C LIG 1 -0.934 2.497 -0.887 0.00 0.00 +0.008 C ATOM 35 C LIG 1 -0.992 3.378 0.364 0.00 0.00 +0.019 C ATOM 36 C LIG 1 -1.388 2.569 1.603 0.00 0.00 +0.111 C ATOM 37 O LIG 1 -1.718 0.161 3.004 0.00 0.00 -0.226 OA BRANCH 30 38 ATOM 38 O LIG 1 -3.409 -0.448 1.594 0.00 0.00 -0.445 OA BRANCH 38 40 ATOM 39 C LIG 1 -4.157 -1.507 3.691 0.00 0.00 +0.055 C ATOM 40 C LIG 1 -3.688 -1.716 2.247 0.00 0.00 +0.107 C ATOM 41 C LIG 1 -2.485 -2.665 2.164 0.00 0.00 +0.055 C ATOM 42 C LIG 1 -4.846 -2.318 1.435 0.00 0.00 +0.055 C ENDBRANCH 38 40 ENDBRANCH 30 38 ENDBRANCH 29 33 ENDBRANCH 24 29 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 8