REMARK Name = BDB035332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.061 -3.394 -1.394 0.00 0.00 +0.173 C ATOM 2 N LIG 1 1.647 -3.166 -1.204 0.00 0.00 -0.266 N ATOM 3 C LIG 1 1.049 -2.274 -0.338 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.313 -2.414 -0.568 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.418 -3.399 -1.570 0.00 0.00 +0.143 A ATOM 6 N LIG 1 0.771 -3.874 -1.942 0.00 0.00 -0.179 NA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.351 -1.652 0.092 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -2.118 -0.737 -0.648 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.117 0.039 -0.037 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -3.329 -0.143 1.343 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -4.371 0.653 2.034 0.00 0.00 +0.256 A ATOM 12 N LIG 1 -5.071 1.537 1.250 0.00 0.00 -0.328 N ATOM 13 H LIG 1 -5.779 2.077 1.734 0.00 0.00 +0.168 HD ATOM 14 C LIG 1 -4.864 1.720 -0.089 0.00 0.00 +0.091 A ATOM 15 O LIG 1 -4.597 0.532 3.232 0.00 0.00 -0.267 OA ATOM 16 C LIG 1 -2.573 -1.060 2.086 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -3.938 1.035 -0.785 0.00 0.00 -0.010 A ATOM 18 C LIG 1 -1.583 -1.814 1.460 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 -3.682 1.214 -2.268 0.00 0.00 +0.115 C BRANCH 19 20 ATOM 20 N LIG 1 -4.534 2.176 -2.958 0.00 0.00 -0.326 NA ATOM 21 H LIG 1 -4.399 3.102 -2.559 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -5.511 1.919 -2.845 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 4 7 BRANCH 3 23 ATOM 23 C LIG 1 1.780 -1.389 0.573 0.00 0.00 +0.023 A ATOM 24 C LIG 1 1.876 0.001 0.357 0.00 0.00 +0.103 A ATOM 25 C LIG 1 2.586 0.789 1.276 0.00 0.00 +0.140 A ATOM 26 C LIG 1 3.158 0.223 2.418 0.00 0.00 +0.067 A ATOM 27 C LIG 1 3.055 -1.148 2.626 0.00 0.00 +0.045 A ATOM 28 CL LIG 1 3.765 -1.856 4.023 0.00 0.00 -0.083 Cl ATOM 29 C LIG 1 2.376 -1.954 1.713 0.00 0.00 +0.031 A BRANCH 24 30 ATOM 30 C LIG 1 1.276 0.619 -0.792 0.00 0.00 +0.103 C ATOM 31 N LIG 1 0.798 1.108 -1.732 0.00 0.00 -0.191 NA ENDBRANCH 24 30 BRANCH 25 32 ATOM 32 O LIG 1 2.657 2.149 1.090 0.00 0.00 -0.487 OA BRANCH 32 33 ATOM 33 C LIG 1 4.002 2.606 0.824 0.00 0.00 +0.174 C ATOM 34 C LIG 1 4.397 2.737 -0.623 0.00 0.00 +0.048 C ATOM 35 C LIG 1 4.085 3.965 0.181 0.00 0.00 +0.048 C ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 3 23 TORSDOF 7