REMARK Name = BDB049974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.981 0.920 -0.901 0.00 0.00 +0.264 C ATOM 2 N LIG 1 -0.209 0.223 -0.751 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.478 0.909 -0.965 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -2.546 -0.166 -0.683 0.00 0.00 +0.076 C ATOM 5 C LIG 1 -1.871 -0.981 0.431 0.00 0.00 +0.039 C ATOM 6 C LIG 1 -0.412 -1.021 -0.019 0.00 0.00 +0.110 C ATOM 7 O LIG 1 0.978 2.114 -1.191 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 4.287 -0.464 -0.223 0.00 0.00 +0.066 A ATOM 9 N LIG 1 3.691 -1.528 -0.774 0.00 0.00 -0.178 NA ATOM 10 N LIG 1 2.467 -1.083 -1.097 0.00 0.00 -0.272 N ATOM 11 H LIG 1 1.851 -1.707 -1.605 0.00 0.00 +0.189 HD ATOM 12 C LIG 1 2.211 0.198 -0.698 0.00 0.00 +0.121 A ATOM 13 C LIG 1 3.407 0.643 -0.170 0.00 0.00 +0.057 A BRANCH 8 15 ATOM 14 C LIG 1 6.614 0.420 -0.529 0.00 0.00 +0.014 C ATOM 15 C LIG 1 5.714 -0.549 0.239 0.00 0.00 +0.033 C ATOM 16 C LIG 1 5.832 -0.311 1.746 0.00 0.00 +0.014 C ENDBRANCH 8 15 ENDBRANCH 1 12 BRANCH 4 17 ATOM 17 N LIG 1 -3.913 0.303 -0.440 0.00 0.00 -0.294 NA ATOM 18 C LIG 1 -4.886 -0.784 -0.213 0.00 0.00 +0.113 C ATOM 19 C LIG 1 -5.363 -0.882 1.244 0.00 0.00 +0.175 C ATOM 20 O LIG 1 -5.971 0.323 1.727 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -5.503 1.501 1.058 0.00 0.00 +0.175 C ATOM 22 C LIG 1 -4.052 1.370 0.568 0.00 0.00 +0.113 C ENDBRANCH 4 17 TORSDOF 3