REMARK Name = BDB005958 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.148 0.164 -2.405 0.00 0.00 -0.287 N ATOM 2 C LIG 1 -1.464 -0.233 -1.854 0.00 0.00 +0.137 C ATOM 3 C LIG 1 -1.765 0.705 -0.698 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -1.525 2.074 -0.884 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -1.783 2.981 0.150 0.00 0.00 +0.053 A ATOM 6 C LIG 1 -2.221 2.522 1.399 0.00 0.00 +0.162 A ATOM 7 C LIG 1 -2.404 1.144 1.588 0.00 0.00 +0.163 A ATOM 8 C LIG 1 -0.986 2.515 -2.219 0.00 0.00 +0.131 C ATOM 9 C LIG 1 -2.217 0.242 0.541 0.00 0.00 +0.055 A ATOM 10 C LIG 1 -0.072 1.484 -2.884 0.00 0.00 +0.221 C ATOM 11 O LIG 1 0.665 1.829 -3.810 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 12 ATOM 12 C LIG 1 -2.595 -0.303 -2.900 0.00 0.00 -0.023 A ATOM 13 C LIG 1 -2.347 -0.297 -4.285 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.393 -0.356 -5.213 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.708 -0.436 -4.771 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -5.994 -0.498 -5.911 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.984 -0.470 -3.409 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -3.936 -0.413 -2.484 0.00 0.00 +0.007 A ENDBRANCH 2 12 BRANCH 1 22 ATOM 19 C LIG 1 2.707 -1.133 -0.459 0.00 0.00 +0.076 C ATOM 20 C LIG 1 1.330 -1.828 -0.494 0.00 0.00 +0.024 C ATOM 21 C LIG 1 0.881 -2.134 -1.930 0.00 0.00 +0.024 C ATOM 22 C LIG 1 0.852 -0.863 -2.820 0.00 0.00 +0.077 C ATOM 23 C LIG 1 2.311 -0.342 -2.833 0.00 0.00 +0.024 C ATOM 24 C LIG 1 2.794 0.050 -1.436 0.00 0.00 +0.024 C BRANCH 19 25 ATOM 25 N LIG 1 3.158 -0.759 0.899 0.00 0.00 -0.299 N ATOM 26 C LIG 1 2.382 0.106 1.668 0.00 0.00 +0.213 C ATOM 27 O LIG 1 1.305 0.563 1.283 0.00 0.00 -0.276 OA ATOM 28 C LIG 1 2.907 0.506 3.030 0.00 0.00 +0.109 C BRANCH 25 29 ATOM 29 C LIG 1 4.533 -1.123 1.266 0.00 0.00 +0.108 C BRANCH 29 31 ATOM 30 C LIG 1 4.422 -3.668 1.188 0.00 0.00 +0.005 C ATOM 31 C LIG 1 4.633 -2.432 2.046 0.00 0.00 +0.016 C ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 19 25 ENDBRANCH 1 22 BRANCH 6 32 ATOM 32 O LIG 1 -2.474 3.315 2.484 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -2.255 4.710 2.353 0.00 0.00 +0.277 C ENDBRANCH 6 32 BRANCH 7 34 ATOM 34 O LIG 1 -2.803 0.652 2.814 0.00 0.00 -0.486 OA BRANCH 34 35 ATOM 35 C LIG 1 -1.695 0.099 3.543 0.00 0.00 +0.167 C ATOM 36 C LIG 1 -1.440 0.954 4.773 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -2.076 -1.316 3.959 0.00 0.00 +0.051 C ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 8