REMARK Name = BDB033628 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.432 0.204 2.818 0.00 0.00 +0.048 A ATOM 2 C LIG 1 -1.326 -0.516 4.020 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -0.206 -1.357 4.130 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -0.047 -2.105 5.289 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -0.964 -2.042 6.341 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -2.069 -1.209 6.235 0.00 0.00 +0.042 A ATOM 7 CL LIG 1 -3.207 -1.123 7.520 0.00 0.00 -0.084 Cl ATOM 8 N LIG 1 0.713 -1.471 3.159 0.00 0.00 -0.245 NA ATOM 9 C LIG 1 0.609 -0.737 2.017 0.00 0.00 +0.091 A ATOM 10 C LIG 1 -2.257 -0.446 5.087 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -0.463 0.116 1.819 0.00 0.00 +0.043 A ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 1.690 -0.909 1.016 0.00 0.00 +0.090 A ATOM 13 N LIG 1 2.927 -1.182 1.502 0.00 0.00 -0.249 NA ATOM 14 C LIG 1 3.960 -1.344 0.633 0.00 0.00 +0.060 A ATOM 15 C LIG 1 5.278 -1.683 1.268 0.00 0.00 +0.067 C ATOM 16 C LIG 1 3.830 -1.204 -0.758 0.00 0.00 +0.049 A ATOM 17 C LIG 1 2.542 -0.960 -1.237 0.00 0.00 +0.027 A ATOM 18 C LIG 1 1.472 -0.802 -0.355 0.00 0.00 +0.032 A BRANCH 16 19 ATOM 19 N LIG 1 4.918 -1.422 -1.636 0.00 0.00 -0.337 N ATOM 20 H LIG 1 5.805 -1.201 -1.191 0.00 0.00 +0.146 HD BRANCH 19 21 ATOM 21 C LIG 1 4.925 -1.144 -3.054 0.00 0.00 +0.098 C ATOM 22 C LIG 1 5.127 0.345 -3.397 0.00 0.00 +0.107 C ATOM 23 N LIG 1 6.473 0.059 -3.927 0.00 0.00 -0.302 NA ATOM 24 C LIG 1 7.498 0.596 -3.036 0.00 0.00 +0.105 C ATOM 25 C LIG 1 6.299 -1.388 -3.710 0.00 0.00 +0.107 C ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 9 12 BRANCH 1 27 ATOM 26 N LIG 1 -3.662 0.604 1.865 0.00 0.00 -0.296 N ATOM 27 C LIG 1 -2.565 1.108 2.560 0.00 0.00 +0.247 C ATOM 28 O LIG 1 -2.455 2.270 2.938 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -3.752 -0.762 1.363 0.00 0.00 +0.132 C BRANCH 26 30 ATOM 30 C LIG 1 -4.626 1.570 1.343 0.00 0.00 +0.146 C BRANCH 30 34 ATOM 31 N LIG 1 -4.062 2.144 -2.237 0.00 0.00 -0.269 N ATOM 32 C LIG 1 -4.775 1.493 -1.258 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -5.867 0.531 -1.553 0.00 0.00 +0.065 C ATOM 34 C LIG 1 -4.250 1.939 -0.053 0.00 0.00 +0.010 A ATOM 35 C LIG 1 -3.239 2.852 -0.429 0.00 0.00 +0.139 A ATOM 36 N LIG 1 -3.110 2.960 -1.750 0.00 0.00 -0.179 NA BRANCH 31 38 ATOM 37 C LIG 1 -5.149 3.107 -4.229 0.00 0.00 +0.029 C ATOM 38 C LIG 1 -4.220 2.040 -3.677 0.00 0.00 +0.140 C ENDBRANCH 31 38 ENDBRANCH 30 34 ENDBRANCH 26 30 ENDBRANCH 1 27 TORSDOF 7