REMARK Name = BDB059003 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.284 -0.301 1.896 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.499 -1.630 1.511 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.711 -2.011 0.916 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.708 -1.040 0.730 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.512 0.293 1.127 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.291 0.653 1.712 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.932 -3.401 0.496 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.818 -3.807 -0.855 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -1.465 -2.831 -1.947 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -2.056 -5.149 -1.194 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.388 -6.073 -0.209 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -2.608 -7.349 -0.551 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.494 -5.693 1.120 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.267 -4.362 1.470 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.131 -0.494 2.029 0.00 0.00 -0.307 N ATOM 16 H LIG 1 2.058 -1.024 1.172 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 0.998 0.128 2.512 0.00 0.00 +0.244 C ATOM 18 O LIG 1 1.010 1.004 3.368 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.450 -0.037 2.403 0.00 0.00 +0.139 C BRANCH 19 26 ATOM 20 C LIG 1 6.370 0.713 -1.641 0.00 0.00 +0.045 C ATOM 21 C LIG 1 5.411 1.260 -0.622 0.00 0.00 -0.032 A ATOM 22 C LIG 1 4.999 2.602 -0.638 0.00 0.00 +0.044 A ATOM 23 CL LIG 1 5.568 3.708 -1.838 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 4.105 3.082 0.321 0.00 0.00 +0.020 A ATOM 25 C LIG 1 3.612 2.229 1.308 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.011 0.887 1.351 0.00 0.00 -0.030 A ATOM 27 C LIG 1 4.905 0.412 0.378 0.00 0.00 +0.010 A ENDBRANCH 19 26 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -3.579 1.338 0.884 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 N LIG 1 -3.387 1.986 -0.395 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -2.651 3.163 -0.557 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -2.109 3.864 0.372 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 -1.637 4.666 -0.047 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -2.649 3.380 -1.940 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -1.926 4.433 -2.608 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -3.328 2.346 -2.573 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -3.779 1.502 -1.636 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 6