REMARK Name = BDB031488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.512 -0.343 0.336 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -3.397 -0.464 -1.122 0.00 0.00 -0.256 N ATOM 3 C LIG 1 -2.094 -0.410 -1.568 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -1.666 -0.456 -2.706 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -1.238 -0.351 -0.384 0.00 0.00 +0.045 A ATOM 6 C LIG 1 0.149 -0.363 -0.336 0.00 0.00 +0.020 A ATOM 7 C LIG 1 0.776 -0.386 0.918 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -0.052 -0.417 2.074 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -1.452 -0.411 1.997 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -2.047 -0.354 0.747 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -4.321 -1.528 0.893 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -5.621 -1.355 1.408 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -6.359 -2.440 1.891 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -5.814 -3.720 1.854 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -6.723 -5.054 2.446 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -4.540 -3.925 1.334 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -3.803 -2.839 0.852 0.00 0.00 +0.010 A ENDBRANCH 1 11 BRANCH 1 19 ATOM 18 C LIG 1 -3.935 1.551 1.812 0.00 0.00 +0.197 C ATOM 19 O LIG 1 -4.160 0.909 0.571 0.00 0.00 -0.351 OA ENDBRANCH 1 19 BRANCH 7 20 ATOM 20 C LIG 1 2.304 -0.397 1.094 0.00 0.00 +0.101 C ATOM 21 C LIG 1 2.751 -1.764 1.635 0.00 0.00 +0.048 C BRANCH 20 22 ATOM 22 O LIG 1 2.596 0.589 2.100 0.00 0.00 -0.383 OA ATOM 23 H LIG 1 2.141 1.406 1.834 0.00 0.00 +0.211 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 C LIG 1 3.107 -0.044 -0.215 0.00 0.00 +0.123 C BRANCH 24 25 ATOM 25 N LIG 1 4.582 -0.097 -0.140 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 5.164 0.915 0.768 0.00 0.00 +0.103 C ATOM 27 C LIG 1 6.522 1.517 0.336 0.00 0.00 +0.123 C ATOM 28 N LIG 1 7.383 0.567 -0.363 0.00 0.00 -0.299 N ATOM 29 C LIG 1 8.754 0.633 -0.183 0.00 0.00 +0.213 C ATOM 30 O LIG 1 9.294 1.460 0.551 0.00 0.00 -0.276 OA ATOM 31 C LIG 1 9.586 -0.370 -0.944 0.00 0.00 +0.109 C ATOM 32 C LIG 1 6.730 -0.288 -1.356 0.00 0.00 +0.123 C ATOM 33 C LIG 1 5.211 -0.053 -1.466 0.00 0.00 +0.103 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 20 BRANCH 2 34 ATOM 34 C LIG 1 -4.531 -0.411 -2.030 0.00 0.00 +0.166 C BRANCH 34 35 ATOM 35 C LIG 1 -5.133 0.971 -2.195 0.00 0.00 +0.059 A ATOM 36 N LIG 1 -4.375 1.926 -2.793 0.00 0.00 -0.257 NA ATOM 37 C LIG 1 -4.914 3.162 -2.925 0.00 0.00 +0.131 A ATOM 38 C LIG 1 -6.186 3.497 -2.493 0.00 0.00 +0.059 A ATOM 39 CL LIG 1 -6.799 5.087 -2.694 0.00 0.00 -0.082 Cl ATOM 40 C LIG 1 -6.958 2.511 -1.892 0.00 0.00 +0.023 A ATOM 41 C LIG 1 -6.428 1.230 -1.741 0.00 0.00 +0.026 A ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 8