REMARK Name = BDB008372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.241 0.178 0.551 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.163 -0.743 1.626 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.227 -0.876 2.518 0.00 0.00 +0.026 A ATOM 4 C LIG 1 2.381 -0.107 2.344 0.00 0.00 +0.015 A ATOM 5 C LIG 1 2.479 0.786 1.272 0.00 0.00 +0.039 A ATOM 6 C LIG 1 1.406 0.940 0.385 0.00 0.00 +0.038 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -2.213 1.845 -2.482 0.00 0.00 +0.006 C ATOM 8 C LIG 1 -0.801 1.239 -2.615 0.00 0.00 +0.023 C ATOM 9 C LIG 1 -0.608 0.014 -1.725 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -0.885 0.312 -0.305 0.00 0.00 -0.328 N ATOM 11 C LIG 1 -1.625 1.560 -0.030 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.755 1.697 -1.044 0.00 0.00 +0.023 C BRANCH 7 13 ATOM 13 C LIG 1 -3.235 1.259 -3.474 0.00 0.00 +0.081 C BRANCH 13 14 ATOM 14 N LIG 1 -2.903 1.567 -4.860 0.00 0.00 -0.330 NA ATOM 15 H LIG 1 -2.091 1.030 -5.159 0.00 0.00 +0.118 HD ATOM 16 H LIG 1 -3.668 1.266 -5.463 0.00 0.00 +0.118 HD ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 2 17 ATOM 17 N LIG 1 -1.041 -1.472 1.704 0.00 0.00 -0.280 N ATOM 18 H LIG 1 -1.668 -1.232 0.943 0.00 0.00 +0.155 HD ATOM 19 C LIG 1 -1.396 -2.465 2.592 0.00 0.00 +0.253 C ATOM 20 O LIG 1 -0.670 -2.905 3.476 0.00 0.00 -0.270 OA BRANCH 19 21 ATOM 21 C LIG 1 -2.752 -2.961 2.384 0.00 0.00 +0.101 A ATOM 22 C LIG 1 -3.258 -4.188 2.783 0.00 0.00 +0.168 A ATOM 23 N LIG 1 -4.601 -4.208 2.386 0.00 0.00 -0.221 N ATOM 24 C LIG 1 -5.406 -5.311 2.652 0.00 0.00 +0.116 A ATOM 25 C LIG 1 -4.907 -6.377 3.292 0.00 0.00 +0.039 A ATOM 26 C LIG 1 -3.471 -6.269 3.664 0.00 0.00 +0.114 A ATOM 27 N LIG 1 -4.957 -3.069 1.745 0.00 0.00 -0.173 NA ATOM 28 N LIG 1 -2.692 -5.258 3.427 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -3.852 -2.327 1.764 0.00 0.00 +0.150 A ENDBRANCH 19 21 ENDBRANCH 2 17 BRANCH 5 30 ATOM 30 C LIG 1 3.725 1.588 1.123 0.00 0.00 +0.248 C ATOM 31 N LIG 1 4.149 1.751 -0.184 0.00 0.00 -0.282 N ATOM 32 H LIG 1 3.654 1.229 -0.894 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 4.273 2.000 2.137 0.00 0.00 -0.270 OA BRANCH 31 34 ATOM 34 C LIG 1 5.259 2.494 -0.636 0.00 0.00 +0.034 A ATOM 35 C LIG 1 5.544 2.448 -2.008 0.00 0.00 +0.023 A ATOM 36 C LIG 1 6.623 3.161 -2.537 0.00 0.00 +0.002 A ATOM 37 C LIG 1 7.426 3.930 -1.700 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.149 3.985 -0.336 0.00 0.00 +0.002 A ATOM 39 C LIG 1 6.069 3.271 0.194 0.00 0.00 +0.023 A ENDBRANCH 31 34 ENDBRANCH 5 30 TORSDOF 7