REMARK Name = BDB023907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.405 -0.968 0.491 0.00 0.00 +0.098 A ATOM 2 C LIG 1 0.852 -0.359 0.224 0.00 0.00 +0.018 A ATOM 3 C LIG 1 1.197 0.876 -0.530 0.00 0.00 +0.146 C ATOM 4 N LIG 1 2.638 1.174 -0.393 0.00 0.00 -0.297 N ATOM 5 C LIG 1 3.568 0.023 -0.365 0.00 0.00 +0.114 C ATOM 6 C LIG 1 3.247 -0.982 0.764 0.00 0.00 +0.074 C ATOM 7 C LIG 1 3.025 2.473 -0.697 0.00 0.00 +0.213 C ATOM 8 O LIG 1 2.215 3.359 -0.971 0.00 0.00 -0.276 OA ATOM 9 C LIG 1 4.499 2.783 -0.665 0.00 0.00 +0.109 C ATOM 10 C LIG 1 1.782 -1.199 0.797 0.00 0.00 +0.046 A ATOM 11 N LIG 1 1.086 -2.208 1.382 0.00 0.00 -0.270 N ATOM 12 C LIG 1 1.598 -3.330 2.131 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -0.242 -2.102 1.194 0.00 0.00 -0.171 NA ENDROOT BRANCH 1 20 ATOM 14 C LIG 1 -3.420 1.256 0.077 0.00 0.00 +0.123 A ATOM 15 C LIG 1 -4.254 0.453 -0.711 0.00 0.00 +0.071 A ATOM 16 C LIG 1 -3.801 -0.820 -1.081 0.00 0.00 +0.051 A ATOM 17 C LIG 1 -2.555 -1.317 -0.694 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -2.446 -2.623 -1.258 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -3.602 -2.886 -1.956 0.00 0.00 +0.083 A ATOM 20 C LIG 1 -1.724 -0.493 0.100 0.00 0.00 +0.015 A ATOM 21 N LIG 1 -4.415 -1.791 -1.839 0.00 0.00 -0.361 N ATOM 22 H LIG 1 -5.335 -1.701 -2.247 0.00 0.00 +0.165 HD ATOM 23 C LIG 1 -2.171 0.787 0.481 0.00 0.00 +0.056 A BRANCH 14 25 ATOM 24 C LIG 1 -3.124 3.377 1.117 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.951 2.482 0.383 0.00 0.00 -0.495 OA ENDBRANCH 14 25 ENDBRANCH 1 20 TORSDOF 2