REMARK Name = BDB049093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.522 -1.482 -1.233 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.814 -0.435 -0.415 0.00 0.00 -0.038 A ATOM 3 C LIG 1 1.491 0.612 0.239 0.00 0.00 +0.040 A ATOM 4 C LIG 1 0.767 1.594 0.930 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.623 1.517 1.014 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.321 0.459 0.412 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.590 -0.502 -0.307 0.00 0.00 +0.008 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -2.830 0.422 0.521 0.00 0.00 +0.051 C ATOM 9 C LIG 1 -3.532 -0.945 0.702 0.00 0.00 +0.079 C ATOM 10 C LIG 1 -4.979 -0.554 0.328 0.00 0.00 +0.104 C ATOM 11 N LIG 1 -4.792 0.252 -0.883 0.00 0.00 -0.296 NA ATOM 12 C LIG 1 -3.540 1.014 -0.714 0.00 0.00 +0.094 C BRANCH 9 13 ATOM 13 N LIG 1 -3.306 -1.653 1.979 0.00 0.00 -0.304 NA ATOM 14 C LIG 1 -3.619 -0.886 3.180 0.00 0.00 +0.104 C ATOM 15 C LIG 1 -4.003 -2.941 2.000 0.00 0.00 +0.104 C ENDBRANCH 9 13 BRANCH 11 16 ATOM 16 C LIG 1 -5.926 1.101 -1.240 0.00 0.00 +0.122 C BRANCH 16 17 ATOM 17 C LIG 1 -7.247 0.398 -1.508 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -7.286 -0.826 -2.196 0.00 0.00 +0.128 A ATOM 19 F LIG 1 -6.150 -1.423 -2.604 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -8.485 -1.479 -2.475 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -9.688 -0.908 -2.087 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -9.685 0.322 -1.436 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -8.481 0.996 -1.158 0.00 0.00 -0.043 A ATOM 24 C LIG 1 -8.557 2.338 -0.479 0.00 0.00 +0.044 C ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 6 8 BRANCH 3 25 ATOM 25 C LIG 1 2.972 0.764 0.251 0.00 0.00 +0.244 C ATOM 26 N LIG 1 3.687 -0.371 0.567 0.00 0.00 -0.310 N ATOM 27 H LIG 1 3.171 -1.121 1.018 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 3.482 1.864 0.080 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 5.113 -0.291 0.831 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 5.951 -0.143 -0.454 0.00 0.00 +0.103 C BRANCH 30 31 ATOM 31 N LIG 1 7.401 -0.079 -0.193 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 8.175 -0.186 -1.438 0.00 0.00 +0.100 C ATOM 33 C LIG 1 9.707 -0.217 -1.181 0.00 0.00 +0.099 C ATOM 34 N LIG 1 10.206 0.625 -0.068 0.00 0.00 -0.303 NA ATOM 35 C LIG 1 10.488 -0.191 1.115 0.00 0.00 +0.105 C ATOM 36 C LIG 1 9.216 1.673 0.241 0.00 0.00 +0.099 C ATOM 37 C LIG 1 7.772 1.169 0.517 0.00 0.00 +0.100 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 3 25 TORSDOF 8