REMARK Name = BDB022285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.624 -1.105 -0.934 0.00 0.00 +0.042 A ATOM 2 C LIG 1 -1.915 -1.332 -0.224 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.123 -2.515 0.510 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -3.339 -2.692 1.188 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -4.346 -1.724 1.127 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -4.178 -0.562 0.376 0.00 0.00 +0.032 A ATOM 7 N LIG 1 -1.109 -3.517 0.535 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -1.315 -4.751 1.277 0.00 0.00 +0.152 C ATOM 9 C LIG 1 0.072 -3.371 -0.172 0.00 0.00 +0.253 A ATOM 10 O LIG 1 0.967 -4.215 -0.216 0.00 0.00 -0.268 OA ATOM 11 C LIG 1 -2.961 -0.384 -0.291 0.00 0.00 +0.035 A ATOM 12 C LIG 1 0.270 -2.102 -0.903 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.451 0.136 -1.552 0.00 0.00 -0.334 N ATOM 14 H LIG 1 -0.730 0.875 -0.906 0.00 0.00 +0.147 HD BRANCH 13 16 ATOM 15 C LIG 1 0.899 -0.162 -3.622 0.00 0.00 +0.036 C ATOM 16 C LIG 1 0.718 0.619 -2.321 0.00 0.00 +0.135 C BRANCH 16 17 ATOM 17 C LIG 1 1.974 0.761 -1.461 0.00 0.00 +0.149 A ATOM 18 N LIG 1 1.924 1.660 -0.451 0.00 0.00 -0.238 NA ATOM 19 C LIG 1 3.019 1.740 0.341 0.00 0.00 +0.123 A ATOM 20 C LIG 1 4.157 0.974 0.180 0.00 0.00 +0.021 A ATOM 21 C LIG 1 4.100 0.098 -0.885 0.00 0.00 +0.123 A ATOM 22 N LIG 1 3.038 -0.029 -1.713 0.00 0.00 -0.238 NA BRANCH 20 23 ATOM 23 C LIG 1 5.303 1.095 1.056 0.00 0.00 +0.022 A ATOM 24 C LIG 1 6.273 0.130 1.245 0.00 0.00 +0.116 A ATOM 25 N LIG 1 7.154 0.640 2.156 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.335 -0.003 2.679 0.00 0.00 +0.172 C ATOM 27 N LIG 1 6.829 1.874 2.578 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 5.705 2.148 1.912 0.00 0.00 +0.143 A ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 29 ATOM 29 N LIG 1 -5.209 0.398 0.368 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -6.133 -0.020 0.466 0.00 0.00 +0.152 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.187 1.792 0.132 0.00 0.00 +0.053 A ATOM 32 C LIG 1 -6.273 2.449 -0.476 0.00 0.00 +0.110 A ATOM 33 C LIG 1 -6.161 3.813 -0.716 0.00 0.00 +0.148 A ATOM 34 CL LIG 1 -7.409 4.747 -1.450 0.00 0.00 -0.061 Cl ATOM 35 N LIG 1 -5.076 4.558 -0.404 0.00 0.00 -0.242 NA ATOM 36 C LIG 1 -4.048 3.912 0.176 0.00 0.00 +0.114 A ATOM 37 C LIG 1 -4.057 2.556 0.455 0.00 0.00 +0.044 A BRANCH 32 38 ATOM 38 C LIG 1 -7.457 1.738 -0.837 0.00 0.00 +0.104 C ATOM 39 N LIG 1 -8.403 1.116 -1.091 0.00 0.00 -0.191 NA ENDBRANCH 32 38 ENDBRANCH 29 31 ENDBRANCH 6 29 TORSDOF 7