REMARK Name = BDB052369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.849 0.188 -1.371 0.00 0.00 -0.027 A ATOM 2 C LIG 1 1.498 0.008 -1.024 0.00 0.00 +0.050 A ATOM 3 C LIG 1 0.507 0.813 -1.590 0.00 0.00 +0.121 A ATOM 4 C LIG 1 0.867 1.786 -2.524 0.00 0.00 +0.045 A ATOM 5 C LIG 1 2.202 1.972 -2.879 0.00 0.00 +0.004 A ATOM 6 C LIG 1 3.191 1.180 -2.300 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 3.926 -0.643 -0.718 0.00 0.00 +0.147 C BRANCH 7 9 ATOM 8 C LIG 1 5.650 0.714 0.489 0.00 0.00 +0.403 C ATOM 9 N LIG 1 4.463 0.004 0.481 0.00 0.00 -0.252 N ATOM 10 O LIG 1 6.102 1.250 1.492 0.00 0.00 -0.226 OA BRANCH 8 12 ATOM 11 C LIG 1 7.454 1.526 -0.763 0.00 0.00 +0.282 C ATOM 12 O LIG 1 6.231 0.786 -0.736 0.00 0.00 -0.454 OA ENDBRANCH 8 12 BRANCH 9 13 ATOM 13 C LIG 1 3.767 -0.208 1.758 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 2.762 0.870 2.156 0.00 0.00 +0.322 C ATOM 15 O LIG 1 2.020 0.762 3.123 0.00 0.00 -0.249 OA BRANCH 14 16 ATOM 16 O LIG 1 2.748 1.964 1.365 0.00 0.00 -0.480 OA ATOM 17 H LIG 1 3.385 1.886 0.628 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 9 13 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 3 18 ATOM 18 O LIG 1 -0.832 0.747 -1.325 0.00 0.00 -0.486 OA BRANCH 18 19 ATOM 19 C LIG 1 -1.242 -0.080 -0.230 0.00 0.00 +0.287 C BRANCH 19 20 ATOM 20 C LIG 1 -2.705 0.043 0.015 0.00 0.00 +0.117 A ATOM 21 N LIG 1 -3.490 -1.059 0.289 0.00 0.00 -0.211 NA ATOM 22 C LIG 1 -4.702 -0.561 0.454 0.00 0.00 +0.227 A ATOM 23 O LIG 1 -4.768 0.802 0.310 0.00 0.00 -0.443 OA ATOM 24 C LIG 1 -3.489 1.173 0.033 0.00 0.00 +0.224 A BRANCH 22 25 ATOM 25 C LIG 1 -5.951 -1.253 0.763 0.00 0.00 +0.037 A ATOM 26 C LIG 1 -7.165 -0.566 0.915 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -8.345 -1.256 1.211 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -8.325 -2.641 1.358 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -7.129 -3.339 1.210 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -5.950 -2.649 0.914 0.00 0.00 +0.013 A ENDBRANCH 22 25 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 3 18 TORSDOF 10