REMARK Name = BDB043015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.764 -0.146 0.092 0.00 0.00 +0.126 A ATOM 2 N LIG 1 1.072 1.246 0.111 0.00 0.00 -0.200 N ATOM 3 C LIG 1 0.051 2.202 0.215 0.00 0.00 +0.163 A ATOM 4 C LIG 1 0.657 3.444 0.215 0.00 0.00 +0.019 A ATOM 5 C LIG 1 2.030 3.158 0.091 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.267 1.861 0.297 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.568 0.586 0.274 0.00 0.00 +0.124 A ATOM 8 N LIG 1 2.294 1.856 0.013 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.535 -0.494 0.168 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -0.010 4.783 0.321 0.00 0.00 +0.018 C ATOM 11 C LIG 1 0.226 5.631 -0.931 0.00 0.00 +0.012 C ATOM 12 C LIG 1 0.439 5.539 1.573 0.00 0.00 +0.012 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 1.762 -1.129 -0.001 0.00 0.00 -0.323 N ATOM 14 H LIG 1 1.419 -2.013 -0.365 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 3.171 -0.887 -0.286 0.00 0.00 +0.158 C BRANCH 15 24 ATOM 16 C LIG 1 5.838 0.259 -1.375 0.00 0.00 +0.064 C ATOM 17 C LIG 1 6.207 -1.193 -1.322 0.00 0.00 +0.022 A ATOM 18 N LIG 1 5.315 -2.179 -0.825 0.00 0.00 -0.299 N ATOM 19 C LIG 1 5.679 -3.531 -0.729 0.00 0.00 +0.138 A ATOM 20 N LIG 1 4.731 -4.268 -0.194 0.00 0.00 -0.236 NA ATOM 21 C LIG 1 3.714 -3.402 0.069 0.00 0.00 +0.136 A ATOM 22 C LIG 1 6.969 -3.915 -1.186 0.00 0.00 +0.047 A ATOM 23 C LIG 1 7.810 -2.987 -1.671 0.00 0.00 +0.005 A ATOM 24 C LIG 1 4.008 -2.118 -0.346 0.00 0.00 +0.060 A ATOM 25 C LIG 1 7.431 -1.591 -1.734 0.00 0.00 +0.021 A ENDBRANCH 15 24 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 26 ATOM 26 N LIG 1 -2.909 0.301 0.356 0.00 0.00 -0.329 N ATOM 27 H LIG 1 -3.464 1.154 0.297 0.00 0.00 +0.147 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.542 -0.889 -0.172 0.00 0.00 +0.109 C BRANCH 28 29 ATOM 29 C LIG 1 -5.072 -0.801 -0.050 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -5.532 -0.796 1.424 0.00 0.00 +0.133 C ATOM 31 C LIG 1 -6.103 -2.160 1.845 0.00 0.00 +0.112 C ATOM 32 N LIG 1 -7.293 -2.494 1.047 0.00 0.00 -0.314 NA ATOM 33 H LIG 1 -7.551 -3.467 1.217 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 -7.137 -2.255 -0.391 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -5.701 -1.978 -0.826 0.00 0.00 +0.023 C BRANCH 30 36 ATOM 36 O LIG 1 -6.571 0.189 1.567 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 -7.410 -0.296 1.431 0.00 0.00 +0.210 HD ENDBRANCH 30 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 26 TORSDOF 8