REMARK Name = BDB001609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.684 -0.402 0.237 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -0.687 -1.226 0.776 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.662 -0.851 0.726 0.00 0.00 +0.015 A ATOM 4 C LIG 1 1.033 0.353 0.122 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.036 1.188 -0.398 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -1.311 0.809 -0.344 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.447 0.815 0.051 0.00 0.00 +0.280 C ATOM 8 N LIG 1 3.566 -0.021 -0.116 0.00 0.00 -0.176 N ATOM 9 C LIG 1 4.915 0.304 -0.132 0.00 0.00 +0.098 A ATOM 10 C LIG 1 5.542 -0.916 -0.352 0.00 0.00 +0.113 A ATOM 11 C LIG 1 6.941 -0.978 -0.426 0.00 0.00 +0.032 A ATOM 12 C LIG 1 7.673 0.206 -0.274 0.00 0.00 +0.002 A ATOM 13 C LIG 1 7.026 1.423 -0.054 0.00 0.00 +0.002 A ATOM 14 N LIG 1 4.606 -1.904 -0.465 0.00 0.00 -0.129 NA ATOM 15 C LIG 1 5.630 1.500 0.023 0.00 0.00 +0.030 A ATOM 16 N LIG 1 3.409 -1.353 -0.333 0.00 0.00 -0.057 NA ATOM 17 O LIG 1 2.654 2.027 0.132 0.00 0.00 -0.265 OA ENDBRANCH 4 7 BRANCH 1 19 ATOM 18 C LIG 1 -4.159 -0.230 -0.136 0.00 0.00 +0.217 C ATOM 19 N LIG 1 -3.014 -0.860 0.329 0.00 0.00 -0.285 N ATOM 20 H LIG 1 -3.144 -1.758 0.779 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 -4.210 0.841 -0.727 0.00 0.00 -0.275 OA BRANCH 18 22 ATOM 22 C LIG 1 -5.403 -1.060 0.158 0.00 0.00 +0.096 C BRANCH 22 24 ATOM 23 C LIG 1 -7.065 0.743 0.809 0.00 0.00 +0.004 C ATOM 24 C LIG 1 -6.713 -0.353 -0.187 0.00 0.00 +0.006 C ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 1 19 TORSDOF 4