REMARK Name = BDB017675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.843 -0.924 1.084 0.00 0.00 -0.031 A ATOM 2 C LIG 1 1.730 0.061 1.538 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.959 0.252 0.900 0.00 0.00 +0.051 A ATOM 4 C LIG 1 3.335 -0.520 -0.209 0.00 0.00 +0.020 A ATOM 5 C LIG 1 4.646 -0.254 -0.849 0.00 0.00 +0.045 A ATOM 6 N LIG 1 4.998 -0.947 -2.006 0.00 0.00 -0.343 N ATOM 7 H LIG 1 4.197 -1.211 -2.573 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 6.145 -0.528 -2.805 0.00 0.00 +0.102 C ATOM 9 C LIG 1 7.287 -0.127 -1.880 0.00 0.00 +0.023 C ATOM 10 C LIG 1 6.832 0.950 -0.890 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.473 0.663 -0.308 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.073 1.462 0.882 0.00 0.00 +0.254 A ATOM 13 O LIG 1 5.814 2.310 1.372 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 2.453 -1.522 -0.640 0.00 0.00 +0.012 A ATOM 15 N LIG 1 3.833 1.222 1.399 0.00 0.00 -0.322 N ATOM 16 H LIG 1 3.577 1.775 2.205 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 1.221 -1.720 -0.004 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -0.484 -1.142 1.780 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 -4.148 0.775 1.048 0.00 0.00 -0.312 N ATOM 20 C LIG 1 -3.839 -0.382 1.907 0.00 0.00 +0.122 C ATOM 21 C LIG 1 -2.519 -0.137 2.671 0.00 0.00 +0.103 C ATOM 22 N LIG 1 -1.330 0.061 1.808 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -1.733 0.472 0.441 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -2.973 1.397 0.399 0.00 0.00 +0.122 C BRANCH 19 29 ATOM 25 C LIG 1 -7.557 0.266 -1.322 0.00 0.00 +0.071 A ATOM 26 C LIG 1 -7.089 1.557 -1.105 0.00 0.00 +0.043 A ATOM 27 C LIG 1 -5.954 1.752 -0.311 0.00 0.00 +0.082 A ATOM 28 CL LIG 1 -5.480 3.391 -0.014 0.00 0.00 -0.080 Cl ATOM 29 C LIG 1 -5.288 0.642 0.250 0.00 0.00 +0.140 A ATOM 30 N LIG 1 -5.769 -0.612 0.045 0.00 0.00 -0.238 NA ATOM 31 C LIG 1 -6.872 -0.776 -0.727 0.00 0.00 +0.131 A BRANCH 25 33 ATOM 32 N LIG 1 -9.648 -0.192 -2.775 0.00 0.00 -0.191 NA ATOM 33 C LIG 1 -8.712 0.015 -2.122 0.00 0.00 +0.101 C ENDBRANCH 25 33 ENDBRANCH 19 29 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4