REMARK Name = BDB051783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.974 1.671 -0.294 0.00 0.00 +0.249 C ATOM 2 N LIG 1 0.656 1.254 -0.417 0.00 0.00 -0.294 N ATOM 3 C LIG 1 -0.324 1.745 0.549 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -1.478 0.754 0.767 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -2.169 0.399 -0.480 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.507 0.043 -0.651 0.00 0.00 +0.236 C ATOM 7 O LIG 1 -3.915 -0.099 -1.813 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 -1.347 0.482 -1.699 0.00 0.00 +0.127 C ATOM 9 C LIG 1 0.159 0.333 -1.444 0.00 0.00 +0.127 C ATOM 10 O LIG 1 2.374 2.435 0.577 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.622 -0.557 -1.779 0.00 0.00 -0.041 A ATOM 12 C LIG 1 3.642 -0.054 -0.909 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.966 1.128 -1.230 0.00 0.00 +0.072 A ATOM 14 C LIG 1 3.253 1.812 -2.404 0.00 0.00 +0.135 A ATOM 15 F LIG 1 2.603 2.940 -2.721 0.00 0.00 -0.205 F ATOM 16 C LIG 1 4.206 1.313 -3.285 0.00 0.00 +0.039 A ATOM 17 C LIG 1 4.883 0.129 -2.978 0.00 0.00 +0.007 A BRANCH 11 18 ATOM 18 C LIG 1 5.358 -1.841 -1.467 0.00 0.00 +0.092 C BRANCH 18 28 ATOM 19 C LIG 1 7.743 -0.265 -0.597 0.00 0.00 +0.046 C ATOM 20 C LIG 1 7.036 -1.112 0.417 0.00 0.00 -0.019 A ATOM 21 C LIG 1 7.379 -1.209 1.718 0.00 0.00 +0.020 A ATOM 22 C LIG 1 8.479 -0.458 2.408 0.00 0.00 +0.050 C ATOM 23 C LIG 1 6.627 -2.133 2.614 0.00 0.00 +0.268 A ATOM 24 O LIG 1 6.921 -2.272 3.797 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 5.599 -2.828 2.043 0.00 0.00 -0.243 N ATOM 26 H LIG 1 5.081 -3.459 2.644 0.00 0.00 +0.192 HD ATOM 27 N LIG 1 5.196 -2.740 0.751 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 5.859 -1.936 -0.025 0.00 0.00 +0.069 A ENDBRANCH 18 28 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 29 ATOM 29 C LIG 1 -4.497 -0.132 0.573 0.00 0.00 +0.096 C ATOM 30 C LIG 1 -4.828 1.198 1.287 0.00 0.00 +0.031 C ATOM 31 C LIG 1 -5.040 0.821 2.748 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -4.013 -0.267 3.003 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -3.913 -1.044 1.690 0.00 0.00 +0.031 C BRANCH 29 34 ATOM 34 N LIG 1 -5.773 -0.821 0.187 0.00 0.00 -0.303 NA ATOM 35 H LIG 1 -6.380 -0.872 1.003 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -6.514 -0.233 -0.927 0.00 0.00 +0.085 C BRANCH 36 37 ATOM 37 C LIG 1 -7.978 -0.485 -0.692 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -8.895 -0.772 -1.854 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -8.565 -1.862 -0.872 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 6 29 TORSDOF 7