REMARK Name = BDB043046 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.267 -0.428 0.304 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.103 -1.472 -0.578 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -1.437 -1.857 -0.720 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -1.427 -2.866 -1.650 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -0.094 -3.030 -2.037 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -2.447 -1.264 -0.020 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -2.128 -0.297 0.805 0.00 0.00 +0.124 A ATOM 8 N LIG 1 0.727 -2.195 -1.396 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.713 0.176 0.998 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.652 -3.628 -2.188 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -3.518 -4.396 -1.224 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -2.648 -5.135 -2.197 0.00 0.00 +0.009 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 1.628 -0.116 0.381 0.00 0.00 -0.323 N ATOM 14 H LIG 1 2.140 -0.603 -0.363 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 2.172 1.213 0.645 0.00 0.00 +0.160 C BRANCH 15 22 ATOM 16 C LIG 1 9.234 3.262 0.032 0.00 0.00 +0.044 C ATOM 17 C LIG 1 7.990 2.484 0.340 0.00 0.00 -0.045 A ATOM 18 C LIG 1 6.754 2.950 0.061 0.00 0.00 +0.050 A ATOM 19 C LIG 1 5.608 2.169 0.375 0.00 0.00 +0.138 A ATOM 20 N LIG 1 5.821 0.927 0.970 0.00 0.00 -0.304 N ATOM 21 C LIG 1 4.576 0.382 1.169 0.00 0.00 +0.117 A ATOM 22 C LIG 1 3.668 1.303 0.684 0.00 0.00 +0.077 A ATOM 23 C LIG 1 7.094 0.415 1.270 0.00 0.00 +0.022 A ATOM 24 C LIG 1 7.218 -0.935 1.908 0.00 0.00 +0.064 C ATOM 25 N LIG 1 4.326 2.413 0.201 0.00 0.00 -0.231 NA ATOM 26 C LIG 1 8.168 1.174 0.965 0.00 0.00 +0.025 A ENDBRANCH 15 22 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 27 ATOM 27 N LIG 1 -3.119 0.330 1.529 0.00 0.00 -0.329 N ATOM 28 H LIG 1 -2.833 0.960 2.269 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.471 -0.192 1.672 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -5.466 0.468 0.710 0.00 0.00 +0.037 C ATOM 31 C LIG 1 -5.186 0.220 -0.779 0.00 0.00 +0.133 C ATOM 32 C LIG 1 -6.335 0.805 -1.632 0.00 0.00 +0.112 C ATOM 33 N LIG 1 -6.954 2.027 -1.094 0.00 0.00 -0.314 NA ATOM 34 H LIG 1 -7.293 2.600 -1.867 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 -6.027 2.780 -0.263 0.00 0.00 +0.081 C ATOM 36 C LIG 1 -5.636 1.978 0.983 0.00 0.00 +0.023 C BRANCH 31 37 ATOM 37 O LIG 1 -5.068 -1.173 -1.056 0.00 0.00 -0.390 OA ATOM 38 H LIG 1 -4.165 -1.429 -0.761 0.00 0.00 +0.210 HD ENDBRANCH 31 37 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 7 27 TORSDOF 8