REMARK Name = BDB013642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.658 0.238 -0.059 0.00 0.00 +0.008 A ATOM 2 C LIG 1 -2.189 1.544 0.195 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -3.444 1.654 0.752 0.00 0.00 +0.112 A ATOM 4 N LIG 1 -3.721 2.986 0.898 0.00 0.00 -0.356 N ATOM 5 H LIG 1 -4.582 3.353 1.286 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 -2.651 3.721 0.444 0.00 0.00 +0.084 A ATOM 7 C LIG 1 -4.286 0.539 1.110 0.00 0.00 +0.275 A ATOM 8 O LIG 1 -5.401 0.689 1.602 0.00 0.00 -0.265 OA ATOM 9 N LIG 1 -3.697 -0.711 0.834 0.00 0.00 -0.316 N ATOM 10 C LIG 1 -4.435 -1.924 1.142 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -1.678 2.844 0.003 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -2.424 -0.832 0.263 0.00 0.00 +0.098 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 1.910 -0.919 -0.554 0.00 0.00 +0.037 A ATOM 14 C LIG 1 0.668 -0.681 0.044 0.00 0.00 +0.021 A ATOM 15 C LIG 1 -0.341 -0.028 -0.676 0.00 0.00 -0.015 A ATOM 16 C LIG 1 -0.090 0.372 -1.998 0.00 0.00 +0.008 A ATOM 17 C LIG 1 1.144 0.112 -2.599 0.00 0.00 +0.001 A ATOM 18 C LIG 1 2.144 -0.542 -1.881 0.00 0.00 +0.013 A BRANCH 13 21 ATOM 19 C LIG 1 4.533 0.312 0.117 0.00 0.00 +0.132 C ATOM 20 N LIG 1 4.219 -1.096 0.325 0.00 0.00 -0.304 N ATOM 21 C LIG 1 2.942 -1.645 0.217 0.00 0.00 +0.246 C ATOM 22 O LIG 1 2.619 -2.721 0.715 0.00 0.00 -0.270 OA ATOM 23 C LIG 1 5.253 -1.891 0.965 0.00 0.00 +0.132 C ENDBRANCH 13 21 ENDBRANCH 1 15 TORSDOF 2