REMARK Name = BDB023855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.951 -2.534 -0.761 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.459 -2.411 -0.591 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -2.965 -1.186 -0.159 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.506 -1.131 0.073 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -1.042 0.277 0.191 0.00 0.00 +0.018 A ATOM 6 C LIG 1 0.256 0.843 0.261 0.00 0.00 +0.100 A ATOM 7 N LIG 1 0.199 2.181 0.355 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.114 2.470 0.330 0.00 0.00 -0.270 N ATOM 9 C LIG 1 -1.527 3.850 0.393 0.00 0.00 +0.172 C ATOM 10 C LIG 1 -1.895 1.360 0.250 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -3.372 1.278 0.193 0.00 0.00 +0.074 C ATOM 12 C LIG 1 -3.799 -0.169 0.519 0.00 0.00 +0.114 C ATOM 13 O LIG 1 -2.728 -3.370 -0.840 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 1.524 0.099 0.240 0.00 0.00 +0.028 A ATOM 15 C LIG 1 2.788 0.626 -0.183 0.00 0.00 +0.009 A ATOM 16 C LIG 1 3.730 -0.403 -0.056 0.00 0.00 +0.049 A ATOM 17 C LIG 1 5.083 -0.227 -0.395 0.00 0.00 +0.026 A ATOM 18 C LIG 1 5.487 1.021 -0.875 0.00 0.00 +0.002 A ATOM 19 C LIG 1 4.575 2.061 -1.014 0.00 0.00 +0.001 A ATOM 20 N LIG 1 3.060 -1.503 0.432 0.00 0.00 -0.349 N ATOM 21 C LIG 1 3.667 -2.785 0.711 0.00 0.00 +0.149 C ATOM 22 C LIG 1 3.231 1.875 -0.674 0.00 0.00 +0.010 A ATOM 23 C LIG 1 1.734 -1.212 0.618 0.00 0.00 +0.096 A ENDBRANCH 6 14 TORSDOF 1