REMARK Name = BDB040736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.924 1.568 -0.143 0.00 0.00 +0.000 C ATOM 2 C LIG 1 2.823 1.039 0.991 0.00 0.00 +0.000 C ATOM 3 N LIG 1 3.949 1.409 0.174 0.00 0.00 +0.000 N ATOM 4 C LIG 1 3.168 1.388 -1.032 0.00 0.00 +0.000 C ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 5.284 0.985 0.328 0.00 0.00 +0.000 A ATOM 6 C LIG 1 6.170 0.993 -0.754 0.00 0.00 +0.000 A ATOM 7 C LIG 1 7.491 0.578 -0.592 0.00 0.00 +0.000 A ATOM 8 F LIG 1 8.306 0.604 -1.657 0.00 0.00 +0.000 F ATOM 9 C LIG 1 7.981 0.149 0.642 0.00 0.00 +0.000 A ATOM 10 C LIG 1 7.096 0.161 1.718 0.00 0.00 +0.000 A ATOM 11 F LIG 1 7.518 -0.222 2.932 0.00 0.00 +0.000 F ATOM 12 C LIG 1 5.771 0.574 1.573 0.00 0.00 +0.000 A BRANCH 9 13 ATOM 13 C LIG 1 9.411 -0.311 0.820 0.00 0.00 +0.000 C ATOM 14 C LIG 1 9.768 -1.472 -0.106 0.00 0.00 +0.000 C ATOM 15 O LIG 1 8.967 -2.341 -0.445 0.00 0.00 +0.000 OA ATOM 16 N LIG 1 11.083 -1.559 -0.498 0.00 0.00 +0.000 N ATOM 17 H LIG 1 11.313 -2.342 -1.093 0.00 0.00 +0.000 HD ATOM 18 C LIG 1 12.137 -0.775 -0.103 0.00 0.00 +0.000 C ATOM 19 O LIG 1 13.286 -1.033 -0.452 0.00 0.00 +0.000 OA ATOM 20 C LIG 1 11.817 0.359 0.839 0.00 0.00 +0.000 C ATOM 21 C LIG 1 10.393 0.851 0.635 0.00 0.00 +0.000 C ENDBRANCH 9 13 ENDBRANCH 3 5 BRANCH 1 23 ATOM 22 C LIG 1 -0.240 0.452 0.371 0.00 0.00 +0.000 C ATOM 23 N LIG 1 0.775 0.718 -0.497 0.00 0.00 +0.000 N ATOM 24 H LIG 1 0.685 0.272 -1.400 0.00 0.00 +0.000 HD ATOM 25 O LIG 1 -0.323 0.879 1.512 0.00 0.00 +0.000 OA BRANCH 22 26 ATOM 26 O LIG 1 -1.136 -0.366 -0.232 0.00 0.00 +0.000 OA BRANCH 26 27 ATOM 27 C LIG 1 -2.255 -0.722 0.592 0.00 0.00 +0.000 C BRANCH 27 30 ATOM 28 C LIG 1 -5.144 -0.916 -0.465 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -3.914 -1.069 -1.395 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -3.136 -1.679 -0.205 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -4.505 -2.008 0.432 0.00 0.00 +0.000 C BRANCH 28 32 ATOM 32 O LIG 1 -6.404 -1.241 -1.085 0.00 0.00 +0.000 OA BRANCH 32 33 ATOM 33 SI LIG 1 -7.841 -0.974 -0.265 0.00 0.00 +0.000 Si ATOM 34 C LIG 1 -7.649 -0.935 1.601 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -9.129 -2.262 -0.734 0.00 0.00 +0.000 C BRANCH 33 37 ATOM 36 C LIG 1 -9.947 1.119 -0.156 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -8.592 0.875 -0.851 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -7.589 1.975 -0.450 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -8.776 0.869 -2.382 0.00 0.00 +0.000 C ENDBRANCH 33 37 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 22 26 ENDBRANCH 1 23 TORSDOF 9