REMARK Name = BDB008396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.763 -0.580 -0.066 0.00 0.00 +0.144 A ATOM 2 C LIG 1 -0.386 -1.300 0.317 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -0.335 -2.693 0.357 0.00 0.00 +0.037 A ATOM 4 C LIG 1 0.846 -3.373 0.013 0.00 0.00 +0.002 A ATOM 5 C LIG 1 1.994 -2.656 -0.379 0.00 0.00 +0.075 A ATOM 6 N LIG 1 3.141 -3.269 -0.719 0.00 0.00 -0.255 NA ATOM 7 C LIG 1 3.178 -4.619 -0.676 0.00 0.00 +0.111 A ATOM 8 C LIG 1 2.107 -5.408 -0.304 0.00 0.00 +0.020 A ATOM 9 C LIG 1 0.923 -4.772 0.046 0.00 0.00 +0.011 A ATOM 10 C LIG 1 1.929 -1.270 -0.415 0.00 0.00 +0.075 A ENDROOT BRANCH 2 11 ATOM 11 N LIG 1 -1.535 -0.548 0.644 0.00 0.00 -0.278 N ATOM 12 H LIG 1 -1.409 0.462 0.556 0.00 0.00 +0.155 HD ATOM 13 C LIG 1 -2.775 -0.991 1.050 0.00 0.00 +0.251 C ATOM 14 O LIG 1 -3.090 -2.166 1.207 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 -3.751 0.077 1.302 0.00 0.00 +0.070 A ATOM 16 C LIG 1 -3.564 1.497 1.172 0.00 0.00 +0.093 A ATOM 17 C LIG 1 -4.711 2.219 1.493 0.00 0.00 +0.056 A ATOM 18 C LIG 1 -4.677 3.603 1.411 0.00 0.00 +0.129 A ATOM 19 N LIG 1 -3.541 4.216 1.025 0.00 0.00 -0.243 NA ATOM 20 C LIG 1 -2.483 3.446 0.734 0.00 0.00 +0.221 A ATOM 21 S LIG 1 -5.997 1.188 1.947 0.00 0.00 -0.093 S ATOM 22 N LIG 1 -2.412 2.110 0.782 0.00 0.00 -0.234 NA ATOM 23 C LIG 1 -5.042 -0.206 1.719 0.00 0.00 +0.061 A ENDBRANCH 13 15 ENDBRANCH 2 11 BRANCH 1 24 ATOM 24 O LIG 1 0.621 0.788 -0.077 0.00 0.00 -0.490 OA BRANCH 24 25 ATOM 25 C LIG 1 1.786 1.602 -0.234 0.00 0.00 +0.230 C BRANCH 25 26 ATOM 26 C LIG 1 2.010 1.929 -1.708 0.00 0.00 +0.056 C BRANCH 26 27 ATOM 27 C LIG 1 3.153 2.914 -1.944 0.00 0.00 +0.081 C BRANCH 27 28 ATOM 28 N LIG 1 4.447 2.360 -1.566 0.00 0.00 -0.330 NA ATOM 29 H LIG 1 5.187 2.994 -1.866 0.00 0.00 +0.118 HD ATOM 30 H LIG 1 4.531 2.299 -0.552 0.00 0.00 +0.118 HD ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 7