REMARK Name = BDB051326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.454 -0.447 -1.618 0.00 0.00 +0.227 A ATOM 2 N LIG 1 -0.953 -0.383 -0.375 0.00 0.00 -0.179 NA ATOM 3 C LIG 1 -0.060 -0.470 0.603 0.00 0.00 +0.217 A ATOM 4 N LIG 1 1.253 -0.642 0.432 0.00 0.00 -0.200 NA ATOM 5 C LIG 1 1.738 -0.693 -0.823 0.00 0.00 +0.130 A ATOM 6 C LIG 1 0.881 -0.612 -1.900 0.00 0.00 +0.111 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 3.105 -0.879 -1.007 0.00 0.00 -0.313 N ATOM 8 C LIG 1 3.791 -0.178 -2.106 0.00 0.00 +0.122 C ATOM 9 C LIG 1 5.073 0.532 -1.611 0.00 0.00 +0.103 C ATOM 10 N LIG 1 6.052 -0.370 -0.971 0.00 0.00 -0.295 NA ATOM 11 C LIG 1 5.373 -1.411 -0.160 0.00 0.00 +0.103 C ATOM 12 C LIG 1 3.903 -1.108 0.209 0.00 0.00 +0.122 C BRANCH 10 13 ATOM 13 C LIG 1 7.023 0.410 -0.178 0.00 0.00 +0.120 C BRANCH 13 14 ATOM 14 C LIG 1 8.271 -0.368 0.225 0.00 0.00 -0.026 A ATOM 15 C LIG 1 8.931 -0.164 1.475 0.00 0.00 -0.013 A ATOM 16 C LIG 1 10.099 -0.922 1.758 0.00 0.00 -0.018 A ATOM 17 C LIG 1 10.770 -0.761 2.982 0.00 0.00 +0.008 A ATOM 18 C LIG 1 10.317 0.145 3.938 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.188 0.906 3.678 0.00 0.00 +0.001 A ATOM 20 C LIG 1 10.595 -1.832 0.815 0.00 0.00 +0.008 A ATOM 21 C LIG 1 9.967 -2.002 -0.412 0.00 0.00 +0.001 A ATOM 22 C LIG 1 8.507 0.755 2.466 0.00 0.00 +0.009 A ATOM 23 C LIG 1 8.822 -1.271 -0.707 0.00 0.00 +0.005 A ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 3 24 ATOM 24 N LIG 1 -0.534 -0.426 1.899 0.00 0.00 -0.327 N ATOM 25 H LIG 1 -1.504 -0.710 1.908 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 0.101 -0.926 2.505 0.00 0.00 +0.145 HD ENDBRANCH 3 24 BRANCH 1 27 ATOM 27 O LIG 1 -1.304 -0.399 -2.722 0.00 0.00 -0.438 OA BRANCH 27 31 ATOM 28 C LIG 1 -5.263 0.821 -2.208 0.00 0.00 -0.043 A ATOM 29 C LIG 1 -4.216 1.698 -1.891 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -2.886 1.302 -2.044 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -2.595 0.018 -2.506 0.00 0.00 +0.130 A ATOM 32 C LIG 1 -3.624 -0.852 -2.859 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -4.954 -0.454 -2.706 0.00 0.00 +0.007 A BRANCH 28 34 ATOM 34 C LIG 1 -6.703 1.246 -2.025 0.00 0.00 +0.094 C BRANCH 34 36 ATOM 35 C LIG 1 -6.628 1.581 0.489 0.00 0.00 +0.068 C ATOM 36 C LIG 1 -7.386 0.906 -0.668 0.00 0.00 +0.207 C BRANCH 36 37 ATOM 37 C LIG 1 -7.410 -0.634 -0.549 0.00 0.00 +0.349 C ATOM 38 O LIG 1 -7.944 -1.411 -1.331 0.00 0.00 -0.246 OA BRANCH 37 39 ATOM 39 O LIG 1 -6.762 -1.128 0.525 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 -6.873 -2.098 0.445 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 BRANCH 36 41 ATOM 41 O LIG 1 -8.702 1.505 -0.801 0.00 0.00 -0.474 OA BRANCH 41 42 ATOM 42 C LIG 1 -9.614 1.159 0.156 0.00 0.00 +0.122 A ATOM 43 C LIG 1 -10.460 0.072 -0.053 0.00 0.00 +0.046 A ATOM 44 C LIG 1 -11.431 -0.245 0.897 0.00 0.00 +0.004 A ATOM 45 C LIG 1 -11.574 0.543 2.039 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -10.757 1.659 2.222 0.00 0.00 +0.004 A ATOM 47 C LIG 1 -9.786 1.976 1.272 0.00 0.00 +0.046 A ENDBRANCH 41 42 ENDBRANCH 36 41 ENDBRANCH 34 36 ENDBRANCH 28 34 ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 12