REMARK Name = BDB060952 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.442 2.222 0.597 0.00 0.00 +0.042 A ATOM 2 C LIG 1 0.361 1.965 -0.542 0.00 0.00 +0.039 A ATOM 3 C LIG 1 1.748 2.179 -0.502 0.00 0.00 +0.013 A ATOM 4 C LIG 1 2.354 2.621 0.673 0.00 0.00 +0.001 A ATOM 5 C LIG 1 1.583 2.849 1.808 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.201 2.645 1.772 0.00 0.00 +0.024 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -1.846 1.927 0.569 0.00 0.00 -0.313 N ATOM 8 H LIG 1 -2.159 2.091 -0.402 0.00 0.00 +0.152 HD BRANCH 7 18 ATOM 9 O LIG 1 -5.253 4.933 1.893 0.00 0.00 -0.284 OA ATOM 10 C LIG 1 -4.508 4.012 2.195 0.00 0.00 +0.228 C ATOM 11 C LIG 1 -4.536 3.391 3.579 0.00 0.00 +0.233 C ATOM 12 O LIG 1 -5.171 3.913 4.485 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 -3.779 2.144 3.785 0.00 0.00 +0.034 A ATOM 14 C LIG 1 -2.941 1.662 2.768 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -2.283 0.439 2.996 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -2.433 -0.255 4.201 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -3.251 0.255 5.204 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.762 2.414 1.494 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -3.928 1.454 4.998 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -3.537 3.476 1.227 0.00 0.00 +0.078 C ENDBRANCH 7 18 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 -0.283 1.507 -1.811 0.00 0.00 +0.173 C ATOM 22 O LIG 1 -1.427 1.888 -2.067 0.00 0.00 -0.292 OA BRANCH 21 23 ATOM 23 C LIG 1 0.476 0.621 -2.764 0.00 0.00 +0.164 C BRANCH 23 24 ATOM 24 C LIG 1 0.916 -0.686 -2.172 0.00 0.00 +0.225 C ATOM 25 O LIG 1 0.621 -1.102 -1.057 0.00 0.00 -0.287 OA BRANCH 24 26 ATOM 26 C LIG 1 1.793 -1.563 -3.063 0.00 0.00 +0.284 C ATOM 27 N LIG 1 2.041 -2.794 -2.491 0.00 0.00 -0.279 N ATOM 28 H LIG 1 1.614 -2.925 -1.575 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 2.179 -1.120 -4.131 0.00 0.00 -0.267 OA BRANCH 27 30 ATOM 30 C LIG 1 2.803 -3.852 -3.015 0.00 0.00 +0.035 A ATOM 31 C LIG 1 3.444 -3.808 -4.256 0.00 0.00 +0.044 A ATOM 32 C LIG 1 4.189 -4.906 -4.710 0.00 0.00 +0.061 A ATOM 33 CL LIG 1 4.954 -4.774 -6.255 0.00 0.00 -0.082 Cl ATOM 34 C LIG 1 4.294 -6.056 -3.923 0.00 0.00 +0.059 A ATOM 35 CL LIG 1 5.194 -7.445 -4.417 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 3.654 -6.104 -2.683 0.00 0.00 +0.023 A ATOM 37 C LIG 1 2.913 -5.007 -2.233 0.00 0.00 +0.025 A ENDBRANCH 27 30 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 2 21 TORSDOF 7