REMARK Name = BDB002211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.185 -2.293 0.475 0.00 0.00 +0.292 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.846 -3.756 0.185 0.00 0.00 +0.002 A ATOM 3 C LIG 1 -2.256 -4.371 -1.010 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -1.923 -5.700 -1.275 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.173 -6.429 -0.354 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.754 -5.830 0.832 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.086 -4.501 1.101 0.00 0.00 +0.008 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -4.316 -0.908 0.130 0.00 0.00 -0.279 N ATOM 9 H LIG 1 -5.305 -1.039 -0.044 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -3.725 -2.073 0.539 0.00 0.00 +0.263 C ATOM 11 O LIG 1 -4.497 -2.976 0.894 0.00 0.00 -0.271 OA BRANCH 8 13 ATOM 12 C LIG 1 -2.771 0.979 0.650 0.00 0.00 +0.141 A ATOM 13 C LIG 1 -3.813 0.388 -0.086 0.00 0.00 +0.076 A ATOM 14 C LIG 1 -4.473 1.138 -1.073 0.00 0.00 +0.030 A ATOM 15 C LIG 1 -4.056 2.432 -1.402 0.00 0.00 -0.048 A ATOM 16 C LIG 1 -4.724 3.192 -2.508 0.00 0.00 +0.044 C ATOM 17 C LIG 1 -2.962 2.975 -0.729 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -2.336 2.262 0.298 0.00 0.00 +0.048 A BRANCH 12 20 ATOM 19 C LIG 1 -1.279 0.896 2.517 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -2.289 0.280 1.724 0.00 0.00 -0.493 OA ENDBRANCH 12 20 ENDBRANCH 8 13 ENDBRANCH 1 10 BRANCH 1 21 ATOM 21 O LIG 1 -1.550 -1.527 -0.557 0.00 0.00 -0.446 OA BRANCH 21 22 ATOM 22 C LIG 1 -0.262 -1.165 -0.305 0.00 0.00 +0.325 C ATOM 23 O LIG 1 0.386 -1.468 0.691 0.00 0.00 -0.249 OA BRANCH 22 24 ATOM 24 C LIG 1 0.284 -0.361 -1.479 0.00 0.00 +0.225 C BRANCH 24 25 ATOM 25 N LIG 1 1.631 0.120 -1.197 0.00 0.00 -0.301 N ATOM 26 H LIG 1 2.319 -0.596 -0.999 0.00 0.00 +0.150 HD ATOM 27 C LIG 1 1.819 1.343 -0.586 0.00 0.00 +0.245 C ATOM 28 O LIG 1 0.914 2.144 -0.384 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 3.204 1.643 -0.128 0.00 0.00 +0.037 A ATOM 30 C LIG 1 3.374 2.528 0.945 0.00 0.00 +0.016 A ATOM 31 C LIG 1 4.655 2.840 1.414 0.00 0.00 -0.049 A ATOM 32 C LIG 1 4.834 3.815 2.540 0.00 0.00 +0.044 C ATOM 33 C LIG 1 5.770 2.279 0.777 0.00 0.00 +0.006 A ATOM 34 C LIG 1 5.617 1.393 -0.299 0.00 0.00 -0.049 A ATOM 35 C LIG 1 6.822 0.835 -0.998 0.00 0.00 +0.044 C ATOM 36 C LIG 1 4.327 1.089 -0.756 0.00 0.00 +0.016 A ENDBRANCH 27 29 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 9