REMARK Name = BDB024885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.068 -0.971 2.346 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.763 -1.417 2.063 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.535 -2.845 2.352 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.245 -3.734 1.317 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.057 -3.207 2.478 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.312 -2.783 1.232 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.528 -1.317 0.988 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.534 -0.571 0.314 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.655 -1.007 -0.210 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 1.252 0.049 -0.733 0.00 0.00 +0.144 A ATOM 11 N LIG 1 0.463 1.177 -0.557 0.00 0.00 -0.322 N ATOM 12 C LIG 1 -0.675 0.795 0.127 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.786 1.484 0.610 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.778 0.735 1.261 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.710 -0.659 1.422 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.856 -1.604 3.047 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.800 2.538 -0.975 0.00 0.00 +0.090 C ATOM 18 C LIG 1 1.078 3.461 0.219 0.00 0.00 +0.039 C ATOM 19 C LIG 1 1.608 4.829 -0.235 0.00 0.00 +0.100 C ATOM 20 C LIG 1 1.034 5.299 -1.582 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.315 4.658 -1.889 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.215 3.134 -1.971 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 1.312 5.850 0.840 0.00 0.00 +0.308 C ATOM 24 O LIG 1 0.215 6.296 1.133 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 2.416 6.237 1.507 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 2.088 6.878 2.172 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -6.783 0.590 1.965 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -5.436 0.182 1.721 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 2.603 0.069 -1.407 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 3.278 -1.276 -1.625 0.00 0.00 -0.010 A ATOM 31 C LIG 1 3.880 -1.553 -2.863 0.00 0.00 +0.030 A ATOM 32 C LIG 1 4.544 -2.766 -3.083 0.00 0.00 +0.083 A ATOM 33 CL LIG 1 5.256 -3.021 -4.640 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 4.632 -3.733 -2.072 0.00 0.00 +0.138 A ATOM 35 C LIG 1 4.045 -3.458 -0.834 0.00 0.00 +0.047 A ATOM 36 C LIG 1 3.383 -2.243 -0.613 0.00 0.00 +0.010 A BRANCH 34 37 ATOM 37 O LIG 1 5.301 -4.890 -2.376 0.00 0.00 -0.494 OA ATOM 38 C LIG 1 5.369 -5.896 -1.374 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 3.456 0.884 -0.598 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 3.773 0.311 0.122 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 8