REMARK Name = BDB029670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.651 -0.529 -0.157 0.00 0.00 -0.326 N ATOM 2 C LIG 1 1.549 0.235 -0.770 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.238 0.087 0.039 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.218 -1.300 0.287 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.917 -2.249 0.255 0.00 0.00 +0.103 C ATOM 6 C LIG 1 2.263 -1.646 0.718 0.00 0.00 +0.120 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 6.599 0.737 -0.636 0.00 0.00 +0.125 A ATOM 8 N LIG 1 5.673 1.154 -1.526 0.00 0.00 -0.249 NA ATOM 9 C LIG 1 4.403 0.718 -1.329 0.00 0.00 +0.134 A ATOM 10 C LIG 1 3.965 -0.121 -0.295 0.00 0.00 +0.048 A ATOM 11 C LIG 1 4.973 -0.522 0.591 0.00 0.00 +0.027 A ATOM 12 C LIG 1 6.296 -0.096 0.432 0.00 0.00 +0.035 A BRANCH 7 16 ATOM 13 C LIG 1 10.376 0.616 -0.910 0.00 0.00 +0.128 C ATOM 14 N LIG 1 9.005 0.296 -0.598 0.00 0.00 -0.313 N ATOM 15 H LIG 1 8.748 -0.681 -0.555 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 8.002 1.222 -0.853 0.00 0.00 +0.262 C ATOM 17 O LIG 1 8.230 2.361 -1.245 0.00 0.00 -0.269 OA ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.269 -1.732 -0.647 0.00 0.00 +0.121 C BRANCH 18 19 ATOM 19 C LIG 1 -2.598 -1.058 -0.407 0.00 0.00 -0.013 A ATOM 20 C LIG 1 -3.144 -0.941 0.879 0.00 0.00 +0.034 A ATOM 21 C LIG 1 -4.383 -0.335 1.035 0.00 0.00 +0.068 A ATOM 22 C LIG 1 -5.050 0.129 -0.104 0.00 0.00 +0.091 A ATOM 23 C LIG 1 -6.344 0.759 0.087 0.00 0.00 -0.012 A ATOM 24 C LIG 1 -7.221 1.322 -0.971 0.00 0.00 +0.038 C ATOM 25 C LIG 1 -8.539 1.535 -0.212 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -8.193 1.568 1.284 0.00 0.00 +0.041 C ATOM 27 C LIG 1 -6.872 0.892 1.308 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -6.183 0.410 2.521 0.00 0.00 +0.253 A ATOM 29 O LIG 1 -6.671 0.534 3.637 0.00 0.00 -0.268 OA ATOM 30 N LIG 1 -4.562 0.022 -1.358 0.00 0.00 -0.253 NA ATOM 31 N LIG 1 -4.961 -0.186 2.311 0.00 0.00 -0.321 N ATOM 32 H LIG 1 -4.477 -0.518 3.134 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -3.352 -0.572 -1.477 0.00 0.00 +0.116 A ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 4