REMARK Name = BDB034737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.669 -1.232 -3.386 0.00 0.00 +0.070 A ATOM 2 C LIG 1 -1.145 -0.564 -4.542 0.00 0.00 +0.147 A ATOM 3 F LIG 1 -0.572 -0.835 -5.726 0.00 0.00 -0.203 F ATOM 4 C LIG 1 -2.180 0.370 -4.500 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -2.748 0.604 -3.268 0.00 0.00 +0.072 A ATOM 6 N LIG 1 -3.797 1.457 -2.905 0.00 0.00 -0.295 N ATOM 7 C LIG 1 -4.044 1.324 -1.522 0.00 0.00 +0.330 A ATOM 8 N LIG 1 -3.117 0.366 -1.049 0.00 0.00 -0.292 N ATOM 9 O LIG 1 -4.885 1.913 -0.862 0.00 0.00 -0.246 OA ATOM 10 C LIG 1 -4.521 2.311 -3.801 0.00 0.00 +0.154 C ATOM 11 C LIG 1 -2.314 -0.060 -2.116 0.00 0.00 +0.072 A ATOM 12 C LIG 1 -1.278 -0.971 -2.148 0.00 0.00 +0.054 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 0.371 -2.184 -3.514 0.00 0.00 -0.296 N ATOM 14 H LIG 1 0.684 -2.282 -4.478 0.00 0.00 +0.154 HD BRANCH 13 17 ATOM 15 C LIG 1 2.692 -1.648 -0.789 0.00 0.00 +0.220 A ATOM 16 N LIG 1 1.681 -1.464 -1.655 0.00 0.00 -0.198 NA ATOM 17 C LIG 1 1.453 -2.382 -2.619 0.00 0.00 +0.147 A ATOM 18 C LIG 1 2.243 -3.513 -2.734 0.00 0.00 +0.099 A ATOM 19 CL LIG 1 2.023 -4.705 -3.952 0.00 0.00 -0.078 Cl ATOM 20 C LIG 1 3.235 -3.646 -1.795 0.00 0.00 +0.137 A ATOM 21 N LIG 1 3.469 -2.742 -0.822 0.00 0.00 -0.221 NA BRANCH 15 25 ATOM 22 C LIG 1 4.034 -0.609 3.811 0.00 0.00 +0.009 C ATOM 23 C LIG 1 3.817 -0.079 2.394 0.00 0.00 +0.004 C ATOM 24 C LIG 1 3.284 -1.190 1.475 0.00 0.00 +0.111 C ATOM 25 N LIG 1 2.983 -0.651 0.147 0.00 0.00 -0.299 N ATOM 26 C LIG 1 2.075 0.497 0.105 0.00 0.00 +0.111 C ATOM 27 C LIG 1 2.630 1.631 0.979 0.00 0.00 +0.004 C ATOM 28 C LIG 1 1.691 2.834 0.969 0.00 0.00 +0.009 C ATOM 29 C LIG 1 2.871 1.129 2.407 0.00 0.00 +0.009 C ENDBRANCH 15 25 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.044 -0.103 0.314 0.00 0.00 +0.130 C BRANCH 30 31 ATOM 31 C LIG 1 -2.254 0.862 1.203 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 -2.154 0.412 2.673 0.00 0.00 +0.062 C ATOM 33 C LIG 1 -1.541 1.524 3.529 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -1.328 -0.867 2.829 0.00 0.00 +0.041 C BRANCH 32 35 ATOM 35 O LIG 1 -3.461 0.141 3.180 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 -3.992 0.954 3.103 0.00 0.00 +0.210 HD ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 7