REMARK Name = BDB064202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.713 0.066 -0.063 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.064 -1.020 0.091 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -1.388 -0.846 0.029 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.975 0.399 -0.199 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -3.385 0.493 -0.226 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -4.182 -0.641 -0.048 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -3.619 -1.902 0.169 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -1.081 1.471 -0.374 0.00 0.00 +0.136 A ATOM 9 C LIG 1 -2.215 -1.956 0.201 0.00 0.00 +0.051 A ATOM 10 N LIG 1 0.249 1.297 -0.308 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 5.005 -0.434 0.201 0.00 0.00 +0.034 A ATOM 12 C LIG 1 4.152 -1.540 0.259 0.00 0.00 +0.024 A ATOM 13 C LIG 1 2.762 -1.379 0.175 0.00 0.00 +0.013 A ATOM 14 C LIG 1 2.177 -0.110 0.027 0.00 0.00 +0.019 A ATOM 15 C LIG 1 3.053 0.989 -0.029 0.00 0.00 +0.013 A ATOM 16 C LIG 1 4.445 0.833 0.054 0.00 0.00 +0.024 A BRANCH 11 18 ATOM 17 C LIG 1 7.407 0.246 0.299 0.00 0.00 +0.241 C ATOM 18 N LIG 1 6.390 -0.681 0.287 0.00 0.00 -0.282 N ATOM 19 H LIG 1 6.656 -1.649 0.398 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 7.310 1.467 0.301 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 9.146 -1.501 -0.189 0.00 0.00 +0.013 C ATOM 22 C LIG 1 8.770 -0.351 0.385 0.00 0.00 +0.060 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 7 23 ATOM 23 N LIG 1 -4.399 -3.030 0.345 0.00 0.00 -0.325 N ATOM 24 C LIG 1 -5.813 -3.083 -0.062 0.00 0.00 +0.133 C ATOM 25 C LIG 1 -6.225 -4.537 -0.347 0.00 0.00 +0.178 C ATOM 26 O LIG 1 -6.071 -5.420 0.772 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 -5.025 -5.020 1.669 0.00 0.00 +0.178 C ATOM 28 C LIG 1 -3.879 -4.247 0.994 0.00 0.00 +0.133 C ENDBRANCH 7 23 BRANCH 8 29 ATOM 29 N LIG 1 -1.597 2.763 -0.654 0.00 0.00 -0.282 N ATOM 30 H LIG 1 -2.240 2.705 -1.431 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -0.971 3.948 -0.459 0.00 0.00 +0.146 A ATOM 32 N LIG 1 -0.051 4.238 0.464 0.00 0.00 -0.158 NA ATOM 33 N LIG 1 0.249 5.524 0.255 0.00 0.00 -0.280 N ATOM 34 H LIG 1 0.961 5.948 0.841 0.00 0.00 +0.189 HD ATOM 35 C LIG 1 -0.482 6.103 -0.744 0.00 0.00 +0.035 A ATOM 36 C LIG 1 -0.324 7.522 -1.123 0.00 0.00 +0.065 C ATOM 37 C LIG 1 -1.294 5.098 -1.222 0.00 0.00 +0.068 A ENDBRANCH 29 31 ENDBRANCH 8 29 TORSDOF 6