REMARK Name = BDB024429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.126 -1.452 0.145 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.051 -2.972 0.118 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.418 -3.712 1.254 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.364 -5.107 1.243 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.946 -5.780 0.097 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.586 -5.061 -1.040 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.640 -3.666 -1.032 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.233 -0.828 -0.313 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.104 -0.623 0.747 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.790 -0.884 1.669 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.453 -0.593 -1.501 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.398 -0.100 0.647 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.910 0.260 -0.539 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.170 0.761 -0.566 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.975 0.932 0.554 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.424 0.548 1.776 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.127 0.029 1.825 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.319 1.473 0.472 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.797 2.280 -0.541 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.094 2.571 -0.225 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.011 3.386 -0.982 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.500 2.013 0.928 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.422 1.347 1.350 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.202 -0.885 -0.691 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.943 -1.004 -1.672 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.534 -1.421 -0.419 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.628 -0.588 -1.131 0.00 0.00 +0.031 C ATOM 28 C LIG 1 -5.985 -1.295 -1.027 0.00 0.00 +0.014 C BRANCH 27 33 ATOM 29 C LIG 1 -4.945 4.781 0.985 0.00 0.00 +0.065 C ATOM 30 C LIG 1 -4.859 3.398 0.412 0.00 0.00 +0.038 A ATOM 31 N LIG 1 -5.203 2.369 1.218 0.00 0.00 -0.260 NA ATOM 32 C LIG 1 -5.118 1.122 0.699 0.00 0.00 +0.115 A ATOM 33 C LIG 1 -4.713 0.831 -0.601 0.00 0.00 -0.025 A ATOM 34 C LIG 1 -4.361 1.917 -1.407 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -4.434 3.213 -0.899 0.00 0.00 +0.023 A ENDBRANCH 27 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8