REMARK Name = BDB064653 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.671 0.591 -1.261 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.352 0.208 -2.098 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.140 -0.091 -3.048 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.507 0.749 -0.051 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.696 -0.317 -0.690 0.00 0.00 +0.227 C ATOM 6 N LIG 1 -3.113 0.881 -1.046 0.00 0.00 -0.287 N ATOM 7 C LIG 1 -1.995 0.908 -1.984 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -1.979 2.340 -2.509 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -2.469 3.149 -1.309 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.516 2.229 -0.675 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -3.286 -1.372 -1.183 0.00 0.00 -0.275 OA BRANCH 9 12 ATOM 12 O LIG 1 -3.013 4.383 -1.744 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -3.265 4.891 -0.952 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -4.830 -0.293 0.339 0.00 0.00 +0.149 C BRANCH 14 15 ATOM 15 C LIG 1 -6.018 -0.995 -0.233 0.00 0.00 +0.187 A ATOM 16 N LIG 1 -6.866 -0.400 -1.093 0.00 0.00 -0.135 NA ATOM 17 N LIG 1 -7.738 -1.408 -1.287 0.00 0.00 -0.166 N ATOM 18 C LIG 1 -8.875 -1.282 -2.156 0.00 0.00 +0.199 C ATOM 19 N LIG 1 -7.523 -2.513 -0.559 0.00 0.00 -0.046 NA ATOM 20 N LIG 1 -6.413 -2.259 0.119 0.00 0.00 -0.112 NA ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 -3.630 -2.149 1.716 0.00 0.00 +0.008 C ATOM 22 C LIG 1 -4.390 -0.817 1.734 0.00 0.00 +0.002 C ATOM 23 C LIG 1 -3.546 0.226 2.477 0.00 0.00 +0.008 C ENDBRANCH 14 22 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 1.646 -0.223 -1.567 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 2.301 -1.094 -2.654 0.00 0.00 +0.231 C ATOM 26 O LIG 1 1.882 -1.143 -3.810 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 3.387 -1.829 -2.283 0.00 0.00 -0.328 N ATOM 28 H LIG 1 3.821 -2.425 -2.975 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 3.751 -1.841 -1.337 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 2.528 0.985 -1.208 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 3.644 0.654 -0.244 0.00 0.00 -0.045 A ATOM 32 C LIG 1 4.979 0.675 -0.659 0.00 0.00 +0.004 A ATOM 33 C LIG 1 6.004 0.346 0.234 0.00 0.00 +0.009 A ATOM 34 C LIG 1 5.723 -0.007 1.564 0.00 0.00 -0.018 A ATOM 35 C LIG 1 4.380 -0.013 1.972 0.00 0.00 +0.009 A ATOM 36 C LIG 1 3.353 0.315 1.083 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 6.804 -0.354 2.502 0.00 0.00 -0.018 A ATOM 38 C LIG 1 7.898 0.505 2.698 0.00 0.00 +0.008 A ATOM 39 C LIG 1 8.924 0.176 3.588 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.875 -1.021 4.297 0.00 0.00 +0.000 A ATOM 41 C LIG 1 7.800 -1.888 4.118 0.00 0.00 +0.001 A ATOM 42 C LIG 1 6.773 -1.556 3.229 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 10