REMARK Name = BDB024376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.619 0.337 -2.298 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.537 -0.690 -3.431 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.539 -1.635 -3.706 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.389 -2.557 -4.746 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.240 -2.548 -5.532 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.760 -1.613 -5.285 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.612 -0.691 -4.247 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.880 -1.114 -0.971 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.450 -1.839 -1.526 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.510 0.199 -1.229 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.953 1.199 -0.665 0.00 0.00 -0.273 OA BRANCH 8 14 ATOM 12 C LIG 1 -3.358 -1.065 1.658 0.00 0.00 +0.076 A ATOM 13 N LIG 1 -2.449 -0.629 0.755 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -1.831 -1.524 -0.030 0.00 0.00 +0.126 A ATOM 15 C LIG 1 -2.096 -2.886 0.058 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -3.031 -3.333 0.987 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -3.675 -2.409 1.802 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 C LIG 1 -6.093 1.434 4.985 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -5.179 1.080 3.927 0.00 0.00 -0.274 N ATOM 20 N LIG 1 -4.507 2.050 3.287 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -3.770 1.381 2.394 0.00 0.00 +0.144 A ATOM 22 C LIG 1 -3.971 -0.019 2.457 0.00 0.00 +0.038 A ATOM 23 C LIG 1 -4.897 -0.176 3.470 0.00 0.00 +0.118 A ENDBRANCH 12 22 ENDBRANCH 8 14 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 1.946 0.492 -1.668 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.677 0.528 -2.373 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 2.262 -0.398 -0.556 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 3.713 -0.216 -0.067 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 4.111 1.119 0.531 0.00 0.00 -0.046 A ATOM 29 C LIG 1 3.186 2.103 0.906 0.00 0.00 +0.005 A ATOM 30 C LIG 1 3.614 3.308 1.475 0.00 0.00 +0.019 A ATOM 31 C LIG 1 4.975 3.543 1.683 0.00 0.00 +0.052 A ATOM 32 C LIG 1 5.906 2.567 1.323 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.476 1.365 0.755 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 5.415 4.777 2.265 0.00 0.00 +0.099 C ATOM 35 N LIG 1 5.782 5.773 2.736 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9