REMARK Name = BDB048134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.155 0.677 0.895 0.00 0.00 -0.490 OA ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 3.524 -0.429 -0.589 0.00 0.00 +0.045 A ATOM 3 N LIG 1 2.684 0.337 -1.323 0.00 0.00 -0.256 NA ATOM 4 C LIG 1 1.490 0.652 -0.764 0.00 0.00 +0.156 A ATOM 5 C LIG 1 1.080 0.253 0.502 0.00 0.00 +0.139 A ATOM 6 C LIG 1 1.965 -0.522 1.242 0.00 0.00 +0.049 A ATOM 7 C LIG 1 3.202 -0.868 0.693 0.00 0.00 +0.027 A BRANCH 2 8 ATOM 8 C LIG 1 4.857 -0.764 -1.208 0.00 0.00 +0.098 C BRANCH 8 9 ATOM 9 C LIG 1 5.904 0.298 -0.863 0.00 0.00 +0.231 C BRANCH 9 11 ATOM 10 C LIG 1 6.978 1.219 1.048 0.00 0.00 +0.195 C ATOM 11 O LIG 1 6.305 0.092 0.501 0.00 0.00 -0.368 OA ENDBRANCH 9 11 BRANCH 9 12 ATOM 12 C LIG 1 7.072 0.154 -1.843 0.00 0.00 +0.334 C ATOM 13 O LIG 1 8.208 -0.218 -1.593 0.00 0.00 -0.248 OA BRANCH 12 14 ATOM 14 O LIG 1 6.753 0.524 -3.101 0.00 0.00 -0.479 OA ATOM 15 H LIG 1 7.583 0.395 -3.607 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 16 ATOM 16 C LIG 1 -0.652 0.175 2.137 0.00 0.00 +0.235 C BRANCH 16 17 ATOM 17 C LIG 1 -2.070 0.701 2.365 0.00 0.00 +0.100 C BRANCH 17 18 ATOM 18 C LIG 1 -3.078 0.087 1.457 0.00 0.00 +0.086 A ATOM 19 C LIG 1 -3.580 -1.197 1.431 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -3.351 -2.425 2.210 0.00 0.00 +0.088 C ATOM 21 O LIG 1 -4.489 -1.273 0.414 0.00 0.00 -0.440 OA ATOM 22 C LIG 1 -4.503 -0.013 -0.127 0.00 0.00 +0.228 A ATOM 23 N LIG 1 -3.685 0.833 0.470 0.00 0.00 -0.214 NA BRANCH 22 24 ATOM 24 C LIG 1 -5.400 0.211 -1.257 0.00 0.00 +0.037 A ATOM 25 C LIG 1 -6.222 -0.805 -1.770 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -7.071 -0.559 -2.853 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -7.109 0.705 -3.437 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.300 1.724 -2.942 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.452 1.478 -1.859 0.00 0.00 +0.013 A ENDBRANCH 22 24 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10