REMARK Name = BDB058651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.458 0.620 -0.220 0.00 0.00 -0.312 N ATOM 2 C LIG 1 2.088 0.531 -0.113 0.00 0.00 +0.072 A ATOM 3 C LIG 1 1.847 -0.832 -0.005 0.00 0.00 +0.093 A ATOM 4 C LIG 1 0.529 -1.294 0.113 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -0.530 -0.367 0.123 0.00 0.00 +0.053 A ATOM 6 C LIG 1 -0.253 1.020 0.009 0.00 0.00 +0.057 A ATOM 7 N LIG 1 3.017 -1.547 -0.046 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 1.062 1.487 -0.116 0.00 0.00 +0.053 A ATOM 9 C LIG 1 3.976 -0.655 -0.151 0.00 0.00 +0.199 A ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -1.889 -0.787 0.198 0.00 0.00 -0.328 N ATOM 11 C LIG 1 -2.375 -1.210 -1.129 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.782 -1.780 -0.992 0.00 0.00 +0.024 C ATOM 13 C LIG 1 -3.801 -3.039 -0.107 0.00 0.00 +0.017 C ATOM 14 C LIG 1 -2.604 -3.076 0.865 0.00 0.00 +0.024 C ATOM 15 C LIG 1 -2.199 -1.680 1.331 0.00 0.00 +0.105 C BRANCH 13 16 ATOM 16 C LIG 1 -5.145 -3.148 0.620 0.00 0.00 +0.159 C BRANCH 16 17 ATOM 17 O LIG 1 -5.223 -4.389 1.306 0.00 0.00 -0.395 OA ATOM 18 H LIG 1 -6.101 -4.437 1.721 0.00 0.00 +0.209 HD ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 9 19 ATOM 19 N LIG 1 5.316 -0.885 -0.230 0.00 0.00 -0.297 N ATOM 20 C LIG 1 5.663 -2.131 -0.961 0.00 0.00 +0.136 C ATOM 21 C LIG 1 7.189 -2.232 -1.111 0.00 0.00 +0.179 C ATOM 22 O LIG 1 7.847 -2.216 0.167 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 7.518 -1.014 0.882 0.00 0.00 +0.179 C ATOM 24 C LIG 1 6.002 -0.875 1.087 0.00 0.00 +0.136 C ENDBRANCH 9 19 BRANCH 6 25 ATOM 25 N LIG 1 -1.375 1.877 0.048 0.00 0.00 -0.280 N ATOM 26 H LIG 1 -2.256 1.381 0.198 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 -1.419 3.247 -0.076 0.00 0.00 +0.253 C ATOM 28 O LIG 1 -0.456 3.979 -0.279 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 -2.750 3.821 0.044 0.00 0.00 +0.101 A ATOM 30 C LIG 1 -3.958 3.197 0.299 0.00 0.00 +0.168 A ATOM 31 N LIG 1 -4.924 4.211 0.326 0.00 0.00 -0.221 N ATOM 32 C LIG 1 -6.259 3.910 0.579 0.00 0.00 +0.116 A ATOM 33 C LIG 1 -6.639 2.646 0.802 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -5.542 1.641 0.750 0.00 0.00 +0.114 A ATOM 35 N LIG 1 -4.388 5.429 0.089 0.00 0.00 -0.173 NA ATOM 36 N LIG 1 -4.287 1.881 0.512 0.00 0.00 -0.235 NA ATOM 37 C LIG 1 -3.087 5.187 -0.074 0.00 0.00 +0.150 A ENDBRANCH 27 29 ENDBRANCH 6 25 BRANCH 1 39 ATOM 38 C LIG 1 4.372 2.168 -1.908 0.00 0.00 +0.027 C ATOM 39 C LIG 1 4.208 1.842 -0.433 0.00 0.00 +0.122 C ENDBRANCH 1 39 TORSDOF 7