REMARK Name = BDB001709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.747 -0.447 -0.743 0.00 0.00 +0.098 C ATOM 2 C LIG 1 -2.223 0.815 -0.776 0.00 0.00 +0.036 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.429 1.991 -0.394 0.00 0.00 -0.023 A ATOM 4 C LIG 1 -0.746 2.731 -1.366 0.00 0.00 +0.010 A ATOM 5 C LIG 1 0.106 3.774 -0.989 0.00 0.00 +0.033 A ATOM 6 C LIG 1 0.274 4.068 0.370 0.00 0.00 +0.126 A ATOM 7 C LIG 1 -0.423 3.352 1.349 0.00 0.00 +0.033 A ATOM 8 C LIG 1 -1.277 2.316 0.962 0.00 0.00 +0.010 A BRANCH 6 9 ATOM 9 N LIG 1 1.214 5.118 0.775 0.00 0.00 +0.056 N ATOM 10 O LIG 1 1.612 5.113 1.950 0.00 0.00 -0.126 OA ATOM 11 O LIG 1 1.556 5.945 -0.082 0.00 0.00 -0.126 OA ENDBRANCH 6 9 ENDBRANCH 2 3 BRANCH 1 14 ATOM 12 N LIG 1 -0.096 -1.012 0.917 0.00 0.00 -0.202 N ATOM 13 H LIG 1 -0.742 -1.726 1.254 0.00 0.00 +0.178 HD ATOM 14 C LIG 1 -0.289 -0.624 -0.400 0.00 0.00 +0.277 C ATOM 15 O LIG 1 0.581 -0.324 -1.214 0.00 0.00 -0.267 OA BRANCH 12 17 ATOM 16 C LIG 1 1.872 0.056 1.304 0.00 0.00 +0.118 C ATOM 17 N LIG 1 1.101 -0.949 1.592 0.00 0.00 -0.191 NA BRANCH 16 22 ATOM 18 O LIG 1 6.371 2.186 0.076 0.00 0.00 -0.284 OA ATOM 19 C LIG 1 5.453 1.593 0.635 0.00 0.00 +0.223 C ATOM 20 C LIG 1 4.487 2.347 1.481 0.00 0.00 +0.203 C ATOM 21 C LIG 1 3.477 1.719 2.097 0.00 0.00 +0.151 C ATOM 22 C LIG 1 3.219 0.235 1.977 0.00 0.00 +0.123 C ATOM 23 C LIG 1 4.240 -0.475 1.124 0.00 0.00 -0.006 C ATOM 24 C LIG 1 5.261 0.133 0.504 0.00 0.00 +0.051 C BRANCH 20 25 ATOM 25 O LIG 1 4.656 3.715 1.613 0.00 0.00 -0.501 OA ATOM 26 H LIG 1 5.452 3.923 1.076 0.00 0.00 +0.292 HD ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O LIG 1 2.584 2.431 2.887 0.00 0.00 -0.506 OA ATOM 28 H LIG 1 2.855 3.377 2.838 0.00 0.00 +0.292 HD ENDBRANCH 21 27 ENDBRANCH 16 22 ENDBRANCH 12 17 ENDBRANCH 1 14 BRANCH 1 29 ATOM 29 N LIG 1 -2.564 -1.514 -1.056 0.00 0.00 -0.277 N ATOM 30 H LIG 1 -3.485 -1.294 -1.415 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.286 -2.844 -0.803 0.00 0.00 +0.248 C ATOM 32 O LIG 1 -1.374 -3.235 -0.084 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.248 -3.824 -1.379 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -3.896 -3.591 -2.599 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -4.792 -4.536 -3.103 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.036 -5.715 -2.399 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.378 -5.959 -1.194 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -3.480 -5.019 -0.686 0.00 0.00 +0.013 A ENDBRANCH 31 33 ENDBRANCH 1 29 TORSDOF 9