REMARK Name = BDB019879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.163 -0.943 -0.105 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.324 0.425 0.153 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.586 0.950 0.471 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.685 0.076 0.523 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.552 -1.291 0.233 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.278 -1.792 -0.072 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.758 2.384 0.734 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.433 3.252 -0.146 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -3.038 2.773 -1.439 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -2.571 4.601 0.210 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -2.018 5.045 1.401 0.00 0.00 +0.111 A ATOM 12 N LIG 1 -1.352 4.249 2.259 0.00 0.00 -0.263 NA ATOM 13 C LIG 1 -1.242 2.946 1.906 0.00 0.00 +0.119 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 2.267 -0.873 0.004 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.208 -0.080 0.632 0.00 0.00 +0.150 HD ATOM 16 C LIG 1 1.159 -1.534 -0.455 0.00 0.00 +0.245 C ATOM 17 O LIG 1 1.214 -2.574 -1.102 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 3.625 -1.306 -0.280 0.00 0.00 +0.125 C BRANCH 18 22 ATOM 19 C LIG 1 7.799 -1.926 2.494 0.00 0.00 +0.044 C ATOM 20 C LIG 1 6.531 -1.188 2.187 0.00 0.00 -0.047 A ATOM 21 C LIG 1 5.702 -1.598 1.140 0.00 0.00 +0.028 A ATOM 22 C LIG 1 4.547 -0.868 0.856 0.00 0.00 +0.062 A ATOM 23 N LIG 1 4.193 0.243 1.566 0.00 0.00 -0.258 NA ATOM 24 C LIG 1 5.020 0.627 2.562 0.00 0.00 +0.111 A ATOM 25 C LIG 1 6.184 -0.042 2.902 0.00 0.00 +0.023 A ENDBRANCH 18 22 BRANCH 18 26 ATOM 26 C LIG 1 4.010 -0.766 -1.640 0.00 0.00 +0.015 C ATOM 27 C LIG 1 5.362 -0.195 -2.012 0.00 0.00 +0.006 C ATOM 28 C LIG 1 4.173 0.718 -1.891 0.00 0.00 +0.006 C ENDBRANCH 18 26 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -3.744 -2.222 0.280 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -4.894 -1.684 -0.421 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -5.005 -1.546 -1.812 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -4.131 -1.735 -2.734 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -3.244 -2.013 -2.309 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -6.324 -1.126 -2.007 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -6.851 -0.765 -3.299 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -6.967 -0.988 -0.786 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -6.104 -1.339 0.177 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 7