REMARK Name = BDB064481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.929 -1.235 -0.827 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -1.070 0.129 -0.096 0.00 0.00 +0.260 C ATOM 3 O LIG 1 -2.150 0.683 0.131 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 0.084 0.717 0.366 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -0.093 1.450 1.043 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 1.397 0.267 0.159 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.813 -0.474 -0.961 0.00 0.00 +0.022 A ATOM 8 C LIG 1 3.129 -0.967 -1.021 0.00 0.00 +0.012 A ATOM 9 C LIG 1 4.044 -0.667 -0.012 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.655 0.154 1.048 0.00 0.00 +0.039 A ATOM 11 C LIG 1 0.935 -0.669 -2.158 0.00 0.00 +0.077 C ATOM 12 C LIG 1 2.334 0.607 1.143 0.00 0.00 +0.037 A ATOM 13 N LIG 1 -0.310 -1.008 -2.121 0.00 0.00 -0.251 NA ENDROOT BRANCH 10 14 ATOM 14 C LIG 1 4.598 0.473 2.143 0.00 0.00 +0.247 C ATOM 15 N LIG 1 5.859 0.975 1.828 0.00 0.00 -0.287 N ATOM 16 C LIG 1 6.755 1.220 2.959 0.00 0.00 +0.204 C ATOM 17 C LIG 1 8.223 1.552 2.630 0.00 0.00 +0.233 C ATOM 18 O LIG 1 9.079 1.537 3.517 0.00 0.00 -0.274 OA ATOM 19 N LIG 1 8.505 1.978 1.331 0.00 0.00 -0.302 N ATOM 20 C LIG 1 9.891 2.227 0.977 0.00 0.00 +0.132 C ATOM 21 C LIG 1 7.587 1.668 0.242 0.00 0.00 +0.126 C ATOM 22 C LIG 1 6.124 1.800 0.654 0.00 0.00 +0.127 C ATOM 23 O LIG 1 4.224 0.260 3.293 0.00 0.00 -0.270 OA ENDBRANCH 10 14 BRANCH 11 24 ATOM 24 C LIG 1 1.527 -0.443 -3.514 0.00 0.00 +0.001 A ATOM 25 C LIG 1 1.187 -1.313 -4.556 0.00 0.00 +0.010 A ATOM 26 C LIG 1 1.725 -1.120 -5.829 0.00 0.00 +0.001 A ATOM 27 C LIG 1 2.593 -0.054 -6.065 0.00 0.00 +0.000 A ATOM 28 C LIG 1 2.919 0.826 -5.033 0.00 0.00 +0.001 A ATOM 29 C LIG 1 2.384 0.637 -3.757 0.00 0.00 +0.010 A ENDBRANCH 11 24 BRANCH 1 31 ATOM 30 C LIG 1 -2.909 -2.461 -0.121 0.00 0.00 +0.246 C ATOM 31 N LIG 1 -2.228 -1.785 -1.103 0.00 0.00 -0.282 N ATOM 32 H LIG 1 -2.751 -1.310 -1.823 0.00 0.00 +0.151 HD ATOM 33 O LIG 1 -2.417 -2.823 0.940 0.00 0.00 -0.270 OA BRANCH 30 35 ATOM 34 C LIG 1 -5.354 -2.272 0.454 0.00 0.00 -0.021 A ATOM 35 C LIG 1 -4.340 -2.707 -0.418 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -4.654 -3.399 -1.599 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -5.983 -3.676 -1.915 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.998 -3.267 -1.055 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.687 -2.577 0.119 0.00 0.00 +0.005 A BRANCH 34 40 ATOM 40 C LIG 1 -5.060 -1.514 1.736 0.00 0.00 +0.120 C BRANCH 40 46 ATOM 41 C LIG 1 -7.850 1.736 3.224 0.00 0.00 +0.039 C ATOM 42 C LIG 1 -6.350 1.611 3.474 0.00 0.00 +0.129 C ATOM 43 O LIG 1 -5.671 2.569 2.642 0.00 0.00 -0.374 OA ATOM 44 C LIG 1 -4.844 1.969 1.636 0.00 0.00 +0.175 C ATOM 45 C LIG 1 -5.523 0.766 0.963 0.00 0.00 +0.113 C ATOM 46 N LIG 1 -5.906 -0.315 1.903 0.00 0.00 -0.294 NA ATOM 47 C LIG 1 -5.831 0.165 3.298 0.00 0.00 +0.116 C ENDBRANCH 40 46 ENDBRANCH 34 40 ENDBRANCH 30 35 ENDBRANCH 1 31 TORSDOF 6