REMARK Name = BDB017677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.710 0.932 -0.652 0.00 0.00 -0.031 A ATOM 2 C LIG 1 1.669 1.663 0.063 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.910 1.095 0.362 0.00 0.00 +0.051 A ATOM 4 C LIG 1 3.240 -0.201 -0.060 0.00 0.00 +0.020 A ATOM 5 C LIG 1 4.577 -0.741 0.278 0.00 0.00 +0.045 A ATOM 6 N LIG 1 4.931 -2.005 -0.184 0.00 0.00 -0.343 N ATOM 7 H LIG 1 4.644 -2.172 -1.146 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 6.194 -2.630 0.186 0.00 0.00 +0.102 C ATOM 9 C LIG 1 7.277 -1.572 0.355 0.00 0.00 +0.023 C ATOM 10 C LIG 1 6.820 -0.475 1.323 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.427 0.003 1.013 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.052 1.360 1.493 0.00 0.00 +0.254 A ATOM 13 O LIG 1 5.809 2.034 2.186 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 2.273 -0.930 -0.766 0.00 0.00 +0.012 A ATOM 15 N LIG 1 3.828 1.833 1.115 0.00 0.00 -0.322 N ATOM 16 H LIG 1 3.591 2.757 1.448 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 1.025 -0.369 -1.064 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -0.635 1.543 -0.985 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 -4.085 0.944 0.201 0.00 0.00 -0.313 N ATOM 20 C LIG 1 -3.714 2.009 -0.755 0.00 0.00 +0.122 C ATOM 21 C LIG 1 -2.537 2.852 -0.208 0.00 0.00 +0.103 C ATOM 22 N LIG 1 -1.339 2.076 0.194 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -1.774 1.014 1.131 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -2.937 0.120 0.636 0.00 0.00 +0.122 C BRANCH 19 29 ATOM 25 C LIG 1 -7.436 -1.258 -1.012 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -6.926 -1.421 0.269 0.00 0.00 +0.063 A ATOM 27 CL LIG 1 -7.640 -2.510 1.406 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 -5.807 -0.692 0.675 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -5.198 0.192 -0.210 0.00 0.00 +0.123 A ATOM 30 N LIG 1 -5.701 0.364 -1.452 0.00 0.00 -0.239 NA ATOM 31 C LIG 1 -6.788 -0.352 -1.827 0.00 0.00 +0.133 A BRANCH 25 33 ATOM 32 N LIG 1 -9.492 -2.526 -1.938 0.00 0.00 -0.191 NA ATOM 33 C LIG 1 -8.573 -1.966 -1.504 0.00 0.00 +0.102 C ENDBRANCH 25 33 ENDBRANCH 19 29 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4