REMARK Name = BDB019576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.416 -0.052 -1.444 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.418 1.342 -1.580 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.759 2.084 -1.405 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -1.946 1.402 -1.093 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.972 0.003 -0.980 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.781 -0.718 -1.156 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.748 3.545 -1.533 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.126 4.215 -2.710 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -1.558 3.463 -3.938 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -1.127 5.569 -2.824 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -0.733 6.283 -1.751 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -0.732 7.619 -1.861 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -0.336 5.721 -0.554 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -0.345 4.335 -0.445 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.823 -1.991 -0.986 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.155 -2.232 -0.269 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.702 -0.780 -1.634 0.00 0.00 +0.244 C ATOM 18 O LIG 1 2.593 -0.280 -2.310 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.074 -2.716 -0.977 0.00 0.00 +0.139 C BRANCH 19 26 ATOM 20 C LIG 1 6.093 0.258 1.737 0.00 0.00 +0.045 C ATOM 21 C LIG 1 5.288 -1.006 1.633 0.00 0.00 -0.032 A ATOM 22 C LIG 1 5.201 -1.922 2.691 0.00 0.00 +0.044 A ATOM 23 CL LIG 1 6.018 -1.654 4.189 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 4.439 -3.087 2.562 0.00 0.00 +0.020 A ATOM 25 C LIG 1 3.754 -3.352 1.375 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.831 -2.457 0.302 0.00 0.00 -0.030 A ATOM 27 C LIG 1 4.594 -1.286 0.444 0.00 0.00 +0.010 A ENDBRANCH 19 26 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -3.252 -0.721 -0.637 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 -3.227 -1.078 0.768 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -2.988 -0.297 1.366 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.227 -1.828 1.281 0.00 0.00 +0.176 C ATOM 32 N LIG 1 -4.229 -1.889 2.638 0.00 0.00 -0.316 N ATOM 33 H LIG 1 -3.305 -1.986 3.041 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -5.167 -2.930 3.009 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -5.957 -3.109 1.710 0.00 0.00 +0.163 C ATOM 36 N LIG 1 -5.135 -2.491 0.633 0.00 0.00 -0.255 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7