REMARK Name = BDB039433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.771 -0.071 -0.663 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.490 -0.726 0.523 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.263 -1.256 1.296 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.040 -0.636 0.725 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.507 0.131 -0.303 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.145 0.382 -0.353 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.299 -0.151 0.646 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.888 -0.919 1.687 0.00 0.00 +0.011 A ATOM 9 C LIG 1 2.265 -1.169 1.734 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.595 0.590 -1.213 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.470 -0.823 1.049 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.470 -0.557 0.385 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.961 0.715 0.375 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.421 1.369 0.993 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.839 1.182 -0.261 0.00 0.00 +0.240 C ATOM 16 O LIG 1 6.429 2.324 -0.051 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.104 0.209 -1.183 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.936 -1.014 -1.563 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.745 -1.603 -0.423 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -1.158 0.110 0.602 0.00 0.00 +0.074 A ATOM 21 N LIG 1 -1.500 1.335 0.129 0.00 0.00 -0.227 NA ATOM 22 C LIG 1 -2.828 1.554 0.112 0.00 0.00 +0.161 A ATOM 23 C LIG 1 -3.844 0.682 0.487 0.00 0.00 +0.112 A ATOM 24 N LIG 1 -5.080 1.271 0.321 0.00 0.00 -0.234 NA ATOM 25 C LIG 1 -4.826 2.466 -0.170 0.00 0.00 +0.201 A ATOM 26 C LIG 1 -3.484 -0.592 0.952 0.00 0.00 -0.002 A ATOM 27 N LIG 1 -3.483 2.690 -0.276 0.00 0.00 -0.312 N ATOM 28 C LIG 1 -2.098 -0.850 1.009 0.00 0.00 +0.035 A BRANCH 27 29 ATOM 29 C LIG 1 -2.851 3.887 -0.849 0.00 0.00 +0.090 C ATOM 30 C LIG 1 -1.683 4.452 0.004 0.00 0.00 +0.025 C ATOM 31 C LIG 1 -2.192 5.858 -0.374 0.00 0.00 +0.004 C ATOM 32 C LIG 1 -3.587 5.218 -0.538 0.00 0.00 +0.025 C ENDBRANCH 27 29 BRANCH 26 33 ATOM 33 C LIG 1 -4.491 -1.634 1.367 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -4.819 -2.582 0.296 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -3.780 -3.575 0.026 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -4.511 -4.656 -0.758 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -5.986 -4.469 -0.424 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -6.013 -3.365 0.619 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 7 20 TORSDOF 5