REMARK Name = BDB003676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.010 -0.315 1.371 0.00 0.00 +0.234 C ATOM 2 C LIG 1 2.714 1.181 1.266 0.00 0.00 +0.221 C ATOM 3 O LIG 1 3.630 2.002 1.381 0.00 0.00 -0.287 OA ATOM 4 C LIG 1 1.294 1.641 1.082 0.00 0.00 +0.073 C ATOM 5 BR LIG 1 1.031 3.495 1.311 0.00 0.00 -0.046 Br ATOM 6 C LIG 1 0.312 0.761 0.780 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.597 -0.662 0.597 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -0.413 -1.495 0.290 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -1.760 -1.112 0.128 0.00 0.00 -0.343 N ATOM 10 C LIG 1 -2.045 0.270 0.277 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -1.089 1.177 0.589 0.00 0.00 +0.036 A ATOM 12 C LIG 1 1.959 -1.226 0.759 0.00 0.00 +0.216 C ATOM 13 O LIG 1 2.205 -2.397 0.462 0.00 0.00 -0.287 OA ATOM 14 C LIG 1 3.074 -0.650 2.869 0.00 0.00 +0.073 C ENDROOT BRANCH 10 15 ATOM 15 C LIG 1 -3.393 0.847 0.104 0.00 0.00 -0.001 A ATOM 16 C LIG 1 -4.228 1.047 1.210 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -5.472 1.664 1.055 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -5.894 2.114 -0.198 0.00 0.00 +0.120 A ATOM 19 C LIG 1 -5.050 1.955 -1.297 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -3.803 1.337 -1.143 0.00 0.00 +0.013 A BRANCH 18 21 ATOM 21 O LIG 1 -7.131 2.696 -0.210 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 -7.619 3.143 -1.468 0.00 0.00 +0.277 C ENDBRANCH 18 21 ENDBRANCH 10 15 BRANCH 9 23 ATOM 23 C LIG 1 -2.721 -2.184 -0.248 0.00 0.00 +0.087 C ATOM 24 C LIG 1 -3.206 -2.108 -1.696 0.00 0.00 +0.025 C ATOM 25 C LIG 1 -4.600 -2.718 -1.650 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -5.154 -2.249 -0.314 0.00 0.00 +0.002 C ATOM 27 C LIG 1 -3.964 -2.320 0.638 0.00 0.00 +0.025 C ENDBRANCH 9 23 BRANCH 1 28 ATOM 28 O LIG 1 4.317 -0.618 0.850 0.00 0.00 -0.442 OA BRANCH 28 29 ATOM 29 C LIG 1 4.474 -0.355 -0.477 0.00 0.00 +0.309 C ATOM 30 O LIG 1 3.591 0.080 -1.205 0.00 0.00 -0.251 OA BRANCH 29 31 ATOM 31 C LIG 1 5.876 -0.653 -0.920 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 C LIG 1 6.845 0.353 -0.319 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 C LIG 1 8.229 0.183 -0.888 0.00 0.00 +0.307 C ATOM 34 O LIG 1 8.559 -0.670 -1.700 0.00 0.00 -0.251 OA BRANCH 33 36 ATOM 35 C LIG 1 10.406 1.044 -0.827 0.00 0.00 +0.280 C ATOM 36 O LIG 1 9.061 1.120 -0.352 0.00 0.00 -0.468 OA ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 9