REMARK Name = BDB022766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.189 0.413 -0.538 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -1.115 -0.958 -0.140 0.00 0.00 +0.155 A ATOM 3 N LIG 1 -0.123 -1.143 0.741 0.00 0.00 -0.155 NA ATOM 4 N LIG 1 0.519 0.035 0.786 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.089 1.006 0.054 0.00 0.00 +0.123 A ENDROOT BRANCH 1 8 ATOM 6 N LIG 1 -3.470 1.052 -1.128 0.00 0.00 -0.307 N ATOM 7 H LIG 1 -3.976 1.733 -1.679 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 -2.120 1.134 -1.380 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -1.741 1.885 -2.279 0.00 0.00 -0.270 OA BRANCH 6 10 ATOM 10 C LIG 1 -4.065 0.598 0.111 0.00 0.00 +0.144 C BRANCH 10 14 ATOM 11 C LIG 1 -7.494 2.086 0.881 0.00 0.00 +0.156 A ATOM 12 C LIG 1 -6.114 1.841 0.849 0.00 0.00 +0.171 A ATOM 13 F LIG 1 -5.295 2.642 1.551 0.00 0.00 -0.201 F ATOM 14 C LIG 1 -5.558 0.791 0.104 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -6.424 -0.032 -0.636 0.00 0.00 +0.059 A ATOM 16 C LIG 1 -7.807 0.207 -0.607 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -8.340 1.258 0.147 0.00 0.00 +0.050 A BRANCH 11 19 ATOM 18 C LIG 1 -9.280 3.430 1.709 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -7.888 3.145 1.652 0.00 0.00 -0.492 OA ENDBRANCH 11 19 BRANCH 15 20 ATOM 20 C LIG 1 -5.940 -1.123 -1.435 0.00 0.00 +0.100 C ATOM 21 N LIG 1 -5.589 -2.013 -2.093 0.00 0.00 -0.191 NA ENDBRANCH 15 20 ENDBRANCH 10 14 ENDBRANCH 6 10 ENDBRANCH 1 8 BRANCH 2 22 ATOM 22 N LIG 1 -1.949 -1.959 -0.559 0.00 0.00 -0.319 N ATOM 23 C LIG 1 -2.099 -2.143 -2.007 0.00 0.00 +0.130 C ATOM 24 C LIG 1 -1.869 -3.227 0.172 0.00 0.00 +0.130 C ENDBRANCH 2 22 BRANCH 4 25 ATOM 25 C LIG 1 1.701 0.189 1.624 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 C LIG 1 2.968 0.188 0.806 0.00 0.00 -0.026 A ATOM 27 C LIG 1 3.439 -1.002 0.234 0.00 0.00 +0.006 A ATOM 28 C LIG 1 4.610 -1.008 -0.527 0.00 0.00 +0.006 A ATOM 29 C LIG 1 5.332 0.174 -0.735 0.00 0.00 -0.028 A ATOM 30 C LIG 1 4.861 1.364 -0.163 0.00 0.00 +0.006 A ATOM 31 C LIG 1 3.690 1.371 0.599 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.603 0.157 -1.555 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 N LIG 1 7.739 -0.396 -0.819 0.00 0.00 -0.311 N ATOM 34 C LIG 1 8.098 -1.724 -1.047 0.00 0.00 +0.252 A ATOM 35 O LIG 1 7.543 -2.480 -1.840 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 9.251 -2.232 -0.253 0.00 0.00 +0.070 A ATOM 37 C LIG 1 9.874 -1.434 0.623 0.00 0.00 +0.007 A ATOM 38 C LIG 1 9.437 -0.075 0.810 0.00 0.00 +0.018 A ATOM 39 C LIG 1 8.404 0.398 0.103 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 10