REMARK Name = BDB015153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.228 0.267 -0.356 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.187 -0.063 0.560 0.00 0.00 +0.121 A ATOM 3 C LIG 1 3.507 -0.075 0.106 0.00 0.00 +0.054 A ATOM 4 C LIG 1 4.570 -0.372 0.975 0.00 0.00 -0.014 A ATOM 5 C LIG 1 4.267 -0.637 2.321 0.00 0.00 +0.009 A ATOM 6 C LIG 1 2.949 -0.595 2.783 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.909 -0.300 1.904 0.00 0.00 +0.045 A BRANCH 4 8 ATOM 8 C LIG 1 5.962 -0.397 0.491 0.00 0.00 -0.014 A ATOM 9 C LIG 1 6.495 0.715 -0.192 0.00 0.00 +0.057 A ATOM 10 C LIG 1 7.816 0.613 -0.615 0.00 0.00 +0.156 A ATOM 11 C LIG 1 8.628 -0.491 -0.415 0.00 0.00 +0.109 A ATOM 12 N LIG 1 9.868 -0.262 -0.956 0.00 0.00 -0.216 NA ATOM 13 C LIG 1 9.759 0.952 -1.452 0.00 0.00 +0.309 A ATOM 14 C LIG 1 8.106 -1.598 0.260 0.00 0.00 +0.032 A ATOM 15 O LIG 1 8.546 1.551 -1.287 0.00 0.00 -0.442 OA ATOM 16 C LIG 1 6.774 -1.533 0.705 0.00 0.00 +0.011 A ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 0.096 -0.619 -0.388 0.00 0.00 +0.261 C BRANCH 17 18 ATOM 18 C LIG 1 -1.194 0.175 -0.144 0.00 0.00 +0.166 C BRANCH 18 19 ATOM 19 O LIG 1 -1.357 0.431 1.261 0.00 0.00 -0.387 OA ATOM 20 H LIG 1 -2.311 0.630 1.365 0.00 0.00 +0.210 HD ENDBRANCH 18 19 BRANCH 18 21 ATOM 21 C LIG 1 -2.428 -0.615 -0.630 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 -3.692 0.044 -0.225 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -4.813 -0.914 -0.349 0.00 0.00 +0.120 C ATOM 24 C LIG 1 -6.173 -0.298 -0.103 0.00 0.00 -0.030 A ATOM 25 C LIG 1 -6.370 1.088 -0.220 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -7.645 1.632 -0.018 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -8.726 0.800 0.274 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -8.540 -0.576 0.371 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.197 1.992 -0.497 0.00 0.00 +0.051 C ATOM 30 C LIG 1 -7.271 -1.124 0.181 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.983 1.231 -1.050 0.00 0.00 +0.089 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 7