REMARK Name = BDB056377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.257 -2.151 -1.359 0.00 0.00 +0.104 A ATOM 2 C LIG 1 -2.191 -2.038 -0.313 0.00 0.00 +0.146 A ATOM 3 C LIG 1 -3.103 -3.069 -0.045 0.00 0.00 +0.092 A ATOM 4 C LIG 1 -3.098 -4.206 -0.844 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -2.197 -4.335 -1.894 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -1.290 -3.308 -2.154 0.00 0.00 +0.135 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 1.416 0.287 -1.906 0.00 0.00 +0.168 A ATOM 8 N LIG 1 0.296 0.949 -2.246 0.00 0.00 -0.073 NA ATOM 9 O LIG 1 -0.755 0.080 -2.029 0.00 0.00 -0.354 OA ATOM 10 C LIG 1 -0.274 -1.111 -1.589 0.00 0.00 +0.175 A ATOM 11 C LIG 1 1.094 -1.039 -1.501 0.00 0.00 +0.086 A BRANCH 7 14 ATOM 12 N LIG 1 3.759 0.262 -1.344 0.00 0.00 -0.307 N ATOM 13 H LIG 1 3.502 -0.434 -0.658 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 2.733 0.932 -1.999 0.00 0.00 +0.266 C ATOM 15 O LIG 1 2.925 1.985 -2.600 0.00 0.00 -0.268 OA BRANCH 12 20 ATOM 16 C LIG 1 8.329 0.757 1.439 0.00 0.00 +0.104 C ATOM 17 N LIG 1 6.892 0.758 1.172 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 6.485 2.016 0.531 0.00 0.00 +0.086 C ATOM 19 C LIG 1 5.097 1.903 -0.090 0.00 0.00 +0.037 C ATOM 20 C LIG 1 5.085 0.860 -1.216 0.00 0.00 +0.076 C ATOM 21 C LIG 1 6.159 -0.219 -1.020 0.00 0.00 +0.037 C ATOM 22 C LIG 1 6.459 -0.450 0.459 0.00 0.00 +0.086 C ENDBRANCH 12 20 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 O LIG 1 -3.969 -5.231 -0.624 0.00 0.00 -0.507 OA ATOM 24 H LIG 1 -4.561 -4.992 0.108 0.00 0.00 +0.292 HD ENDBRANCH 4 23 BRANCH 6 25 ATOM 25 O LIG 1 -0.455 -3.500 -3.224 0.00 0.00 -0.506 OA ATOM 26 H LIG 1 -0.151 -2.634 -3.547 0.00 0.00 +0.292 HD ENDBRANCH 6 25 BRANCH 2 27 ATOM 27 O LIG 1 -2.131 -0.930 0.512 0.00 0.00 -0.455 OA BRANCH 27 28 ATOM 28 C LIG 1 -3.303 -0.240 0.710 0.00 0.00 +0.129 A ATOM 29 C LIG 1 -3.612 0.131 2.012 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -4.785 0.852 2.275 0.00 0.00 +0.027 A ATOM 31 C LIG 1 -5.670 1.249 1.254 0.00 0.00 +0.029 A ATOM 32 C LIG 1 -5.314 0.863 -0.052 0.00 0.00 +0.027 A ATOM 33 C LIG 1 -4.144 0.141 -0.329 0.00 0.00 +0.048 A BRANCH 31 34 ATOM 34 N LIG 1 -6.851 1.951 1.530 0.00 0.00 -0.336 N ATOM 35 C LIG 1 -7.613 2.522 0.421 0.00 0.00 +0.129 C ATOM 36 C LIG 1 -6.954 2.674 2.798 0.00 0.00 +0.129 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 2 27 TORSDOF 8