REMARK Name = BDB024343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.787 0.395 0.964 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.096 1.485 -0.054 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.722 1.382 -1.404 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.027 2.402 -2.307 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.718 3.533 -1.877 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.111 3.643 -0.546 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.807 2.625 0.359 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.634 0.500 0.579 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.439 1.492 0.572 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.559 -0.363 0.743 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.612 -1.591 0.783 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 5.623 -0.539 -0.061 0.00 0.00 +0.041 A ATOM 13 C LIG 1 4.619 -1.481 0.116 0.00 0.00 +0.124 A ATOM 14 N LIG 1 3.313 -1.176 0.325 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 2.963 0.119 0.367 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.899 1.135 0.200 0.00 0.00 +0.044 A ATOM 17 C LIG 1 5.239 0.802 -0.016 0.00 0.00 +0.016 A BRANCH 12 22 ATOM 18 C LIG 1 10.473 -0.363 -0.854 0.00 0.00 +0.112 C ATOM 19 C LIG 1 9.070 -0.746 -0.622 0.00 0.00 +0.225 A ATOM 20 O LIG 1 8.802 -2.079 -0.564 0.00 0.00 -0.338 OA ATOM 21 N LIG 1 7.432 -2.197 -0.339 0.00 0.00 -0.056 NA ATOM 22 C LIG 1 7.005 -0.925 -0.283 0.00 0.00 +0.203 A ATOM 23 N LIG 1 8.008 0.007 -0.457 0.00 0.00 -0.192 NA ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.915 -0.540 1.210 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.545 -1.240 1.861 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.375 -1.284 0.024 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -3.656 -0.699 -0.624 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -4.022 -1.501 -1.880 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -4.841 -0.630 0.333 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.392 -1.783 0.912 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.478 -1.691 1.787 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -7.027 -0.444 2.096 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.486 0.711 1.525 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.401 0.617 0.650 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -8.139 -0.348 2.995 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -9.041 -0.269 3.722 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9