REMARK Name = BDB020784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.305 -1.863 0.006 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -3.243 -0.464 -0.023 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -2.072 0.155 0.393 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -1.814 1.588 0.500 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -0.529 1.736 0.975 0.00 0.00 -0.257 N ATOM 6 C LIG 1 0.154 0.454 1.208 0.00 0.00 +0.192 C ATOM 7 O LIG 1 -2.632 2.446 0.224 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.943 -0.534 0.825 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -0.997 -1.919 0.886 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -2.166 -2.572 0.469 0.00 0.00 +0.007 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.591 0.373 2.686 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -0.332 0.068 3.708 0.00 0.00 +0.010 A ATOM 13 C LIG 1 0.063 0.019 5.049 0.00 0.00 +0.020 A ATOM 14 C LIG 1 1.382 0.292 5.394 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 1.866 0.233 7.043 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 2.309 0.624 4.411 0.00 0.00 +0.020 A ATOM 17 C LIG 1 1.914 0.672 3.071 0.00 0.00 +0.010 A ENDBRANCH 6 11 BRANCH 1 19 ATOM 18 C LIG 1 -5.829 -1.819 -0.537 0.00 0.00 +0.046 C ATOM 19 C LIG 1 -4.537 -2.643 -0.451 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -4.270 -3.314 -1.802 0.00 0.00 +0.046 C BRANCH 19 21 ATOM 21 O LIG 1 -4.792 -3.683 0.503 0.00 0.00 -0.385 OA ATOM 22 H LIG 1 -4.780 -3.268 1.383 0.00 0.00 +0.211 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 6 23 ATOM 23 O LIG 1 1.248 0.428 0.291 0.00 0.00 -0.347 OA BRANCH 23 24 ATOM 24 C LIG 1 2.007 -0.770 0.174 0.00 0.00 +0.167 C BRANCH 24 25 ATOM 25 C LIG 1 1.881 -1.278 -1.251 0.00 0.00 +0.020 C ATOM 26 C LIG 1 2.851 -0.754 -2.373 0.00 0.00 +0.020 C ATOM 27 C LIG 1 2.761 -2.188 -2.969 0.00 0.00 +0.006 C ATOM 28 C LIG 1 2.442 -2.692 -1.545 0.00 0.00 +0.006 C BRANCH 26 29 ATOM 29 C LIG 1 4.288 -0.348 -2.057 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 O LIG 1 4.293 0.894 -1.367 0.00 0.00 -0.395 OA ATOM 31 H LIG 1 5.220 1.181 -1.308 0.00 0.00 +0.209 HD ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 6 23 BRANCH 5 32 ATOM 32 C LIG 1 0.127 3.027 1.044 0.00 0.00 +0.146 C BRANCH 32 33 ATOM 33 C LIG 1 0.582 3.545 -0.303 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -0.292 4.287 -1.115 0.00 0.00 +0.006 A ATOM 35 C LIG 1 0.117 4.748 -2.369 0.00 0.00 +0.020 A ATOM 36 C LIG 1 1.402 4.466 -2.823 0.00 0.00 +0.041 A ATOM 37 CL LIG 1 1.905 5.024 -4.372 0.00 0.00 -0.084 Cl ATOM 38 C LIG 1 2.280 3.729 -2.035 0.00 0.00 +0.020 A ATOM 39 C LIG 1 1.871 3.273 -0.779 0.00 0.00 +0.006 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10