REMARK Name = BDB063483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.928 0.402 0.171 0.00 0.00 +0.300 A ATOM 2 O LIG 1 0.730 1.670 0.647 0.00 0.00 -0.329 OA ATOM 3 N LIG 1 -0.646 1.883 0.683 0.00 0.00 -0.055 NA ATOM 4 C LIG 1 -1.159 0.730 0.229 0.00 0.00 +0.204 A ATOM 5 N LIG 1 -0.209 -0.212 -0.098 0.00 0.00 -0.184 NA ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 5.805 -0.354 0.017 0.00 0.00 +0.199 C ATOM 7 N LIG 1 4.383 -0.551 -0.073 0.00 0.00 -0.166 N ATOM 8 N LIG 1 3.501 0.410 0.257 0.00 0.00 -0.126 NA ATOM 9 C LIG 1 2.349 -0.228 -0.022 0.00 0.00 +0.261 A ATOM 10 N LIG 1 2.546 -1.501 -0.500 0.00 0.00 -0.103 NA ATOM 11 N LIG 1 3.858 -1.695 -0.534 0.00 0.00 -0.046 NA ENDBRANCH 1 9 BRANCH 4 12 ATOM 12 C LIG 1 -2.582 0.473 0.086 0.00 0.00 +0.041 A ATOM 13 C LIG 1 -3.534 1.431 0.419 0.00 0.00 +0.122 A ATOM 14 N LIG 1 -4.875 1.249 0.307 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 -5.288 0.052 -0.161 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -4.425 -0.970 -0.521 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -3.054 -0.753 -0.395 0.00 0.00 +0.014 A ENDBRANCH 4 12 TORSDOF 2