REMARK Name = BDB022762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.372 -2.105 1.028 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.314 -0.892 0.271 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -0.251 -0.209 0.840 0.00 0.00 +0.122 A ATOM 4 N LIG 1 0.257 -0.997 1.825 0.00 0.00 -0.266 N ATOM 5 N LIG 1 -0.412 -2.160 1.968 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -2.102 -0.353 -0.834 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -3.172 -1.101 -1.256 0.00 0.00 -0.307 N ATOM 8 H LIG 1 -3.331 -2.034 -0.879 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -1.829 0.728 -1.350 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -4.102 -0.627 -2.259 0.00 0.00 +0.145 C BRANCH 10 11 ATOM 11 C LIG 1 -4.997 0.476 -1.726 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -5.604 0.273 -0.469 0.00 0.00 +0.171 A ATOM 13 F LIG 1 -5.494 -0.931 0.118 0.00 0.00 -0.201 F ATOM 14 C LIG 1 -6.294 1.283 0.214 0.00 0.00 +0.156 A ATOM 15 C LIG 1 -6.414 2.529 -0.385 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -5.881 2.746 -1.662 0.00 0.00 +0.032 A ATOM 17 C LIG 1 -5.204 1.721 -2.358 0.00 0.00 +0.076 A BRANCH 17 18 ATOM 18 N LIG 1 -4.805 1.972 -3.701 0.00 0.00 -0.200 N ATOM 19 N LIG 1 -4.622 0.989 -4.613 0.00 0.00 -0.039 NA ATOM 20 N LIG 1 -4.386 1.592 -5.769 0.00 0.00 -0.023 NA ATOM 21 N LIG 1 -4.430 2.953 -5.632 0.00 0.00 -0.116 NA ATOM 22 C LIG 1 -4.686 3.172 -4.363 0.00 0.00 +0.250 A ENDBRANCH 17 18 BRANCH 14 23 ATOM 23 O LIG 1 -6.801 0.938 1.437 0.00 0.00 -0.492 OA ATOM 24 C LIG 1 -7.271 1.993 2.266 0.00 0.00 +0.277 C ENDBRANCH 14 23 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 25 ATOM 25 C LIG 1 -2.315 -3.266 0.915 0.00 0.00 +0.217 C BRANCH 25 27 ATOM 26 C LIG 1 -1.515 -4.301 -1.065 0.00 0.00 +0.194 C ATOM 27 O LIG 1 -2.615 -3.653 -0.433 0.00 0.00 -0.377 OA ENDBRANCH 25 27 ENDBRANCH 1 25 BRANCH 4 28 ATOM 28 C LIG 1 1.354 -0.671 2.729 0.00 0.00 +0.178 C BRANCH 28 29 ATOM 29 C LIG 1 2.645 -0.416 1.990 0.00 0.00 -0.026 A ATOM 30 C LIG 1 3.296 -1.454 1.306 0.00 0.00 +0.006 A ATOM 31 C LIG 1 4.479 -1.208 0.605 0.00 0.00 +0.006 A ATOM 32 C LIG 1 5.034 0.079 0.573 0.00 0.00 -0.028 A ATOM 33 C LIG 1 4.393 1.111 1.272 0.00 0.00 +0.006 A ATOM 34 C LIG 1 3.210 0.867 1.973 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 6.304 0.360 -0.198 0.00 0.00 +0.160 C BRANCH 35 36 ATOM 36 N LIG 1 7.486 0.420 0.660 0.00 0.00 -0.311 N ATOM 37 C LIG 1 7.919 1.666 1.115 0.00 0.00 +0.252 A ATOM 38 O LIG 1 7.385 2.739 0.850 0.00 0.00 -0.268 OA ATOM 39 C LIG 1 9.133 1.660 1.981 0.00 0.00 +0.070 A ATOM 40 C LIG 1 9.741 0.507 2.284 0.00 0.00 +0.007 A ATOM 41 C LIG 1 9.225 -0.742 1.786 0.00 0.00 +0.018 A ATOM 42 C LIG 1 8.136 -0.754 1.007 0.00 0.00 +0.089 A ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 11