REMARK Name = BDB050239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.298 1.495 -0.347 0.00 0.00 +0.131 A ATOM 2 N LIG 1 -2.014 1.879 -0.324 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -1.078 0.937 -0.161 0.00 0.00 +0.223 A ATOM 4 N LIG 1 -1.358 -0.361 -0.010 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -2.638 -0.760 -0.031 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -3.648 0.168 -0.186 0.00 0.00 +0.087 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.930 -2.114 0.150 0.00 0.00 -0.315 N ATOM 8 C LIG 1 -4.010 -2.712 -0.643 0.00 0.00 +0.106 C ATOM 9 C LIG 1 -3.595 -4.059 -1.233 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -3.101 -5.032 -0.166 0.00 0.00 +0.003 C ATOM 11 C LIG 1 -2.315 -4.340 0.948 0.00 0.00 +0.019 C ATOM 12 C LIG 1 -1.798 -2.968 0.522 0.00 0.00 +0.106 C ENDBRANCH 5 7 BRANCH 1 13 ATOM 13 N LIG 1 -4.338 2.441 -0.478 0.00 0.00 -0.283 N ATOM 14 H LIG 1 -5.093 2.090 -1.054 0.00 0.00 +0.155 HD BRANCH 13 20 ATOM 15 C LIG 1 -3.084 7.173 0.394 0.00 0.00 +0.065 C ATOM 16 C LIG 1 -3.685 5.885 -0.013 0.00 0.00 +0.035 A ATOM 17 N LIG 1 -4.842 5.807 -0.734 0.00 0.00 -0.280 N ATOM 18 H LIG 1 -5.420 6.569 -1.075 0.00 0.00 +0.189 HD ATOM 19 N LIG 1 -5.234 4.551 -0.995 0.00 0.00 -0.158 NA ATOM 20 C LIG 1 -4.286 3.788 -0.442 0.00 0.00 +0.146 A ATOM 21 C LIG 1 -3.303 4.579 0.196 0.00 0.00 +0.068 A ENDBRANCH 13 20 ENDBRANCH 1 13 BRANCH 3 22 ATOM 22 N LIG 1 0.230 1.418 -0.157 0.00 0.00 -0.284 N ATOM 23 H LIG 1 0.203 2.416 -0.308 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 1.488 0.817 -0.074 0.00 0.00 +0.034 A ATOM 25 C LIG 1 1.692 -0.559 0.045 0.00 0.00 +0.025 A ATOM 26 C LIG 1 2.982 -1.106 0.140 0.00 0.00 +0.025 A ATOM 27 C LIG 1 4.104 -0.284 0.123 0.00 0.00 +0.034 A ATOM 28 C LIG 1 3.916 1.096 0.012 0.00 0.00 +0.025 A ATOM 29 C LIG 1 2.626 1.636 -0.083 0.00 0.00 +0.025 A BRANCH 27 30 ATOM 30 N LIG 1 5.431 -0.750 0.214 0.00 0.00 -0.285 N ATOM 31 H LIG 1 6.148 -0.040 0.192 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 5.860 -2.056 0.328 0.00 0.00 +0.220 C ATOM 33 O LIG 1 5.160 -3.058 0.370 0.00 0.00 -0.275 OA BRANCH 32 34 ATOM 34 C LIG 1 7.344 -2.246 0.406 0.00 0.00 +0.075 C ATOM 35 C LIG 1 8.321 -1.393 -0.369 0.00 0.00 +0.013 C ATOM 36 C LIG 1 8.257 -1.282 1.128 0.00 0.00 +0.013 C ENDBRANCH 32 34 ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 3 22 TORSDOF 7