REMARK Name = BDB016081 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.532 0.116 -0.558 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.204 0.316 -0.455 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.307 1.467 -0.936 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.494 2.426 -1.557 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.841 2.122 -1.609 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.385 0.992 -1.117 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.008 -2.628 0.407 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.464 -1.436 -0.102 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.087 -1.143 -0.018 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.263 -2.102 0.600 0.00 0.00 +0.011 A ATOM 11 C LIG 1 1.786 -3.293 1.109 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.151 -3.554 1.012 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 8.939 -2.089 0.115 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.611 -2.648 0.184 0.00 0.00 -0.274 N ATOM 15 N LIG 1 7.454 -3.983 0.181 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.130 -4.140 0.255 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.431 -2.910 0.307 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.434 -1.962 0.263 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.014 3.654 -2.136 0.00 0.00 +0.024 A ATOM 20 C LIG 1 0.579 4.894 -2.009 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -0.219 5.769 -2.691 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -0.020 7.190 -2.846 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -1.292 5.186 -3.252 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -1.163 3.899 -2.923 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.706 1.668 -0.825 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -1.872 2.617 -0.495 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.569 0.751 -0.245 0.00 0.00 +0.035 C ATOM 28 C LIG 1 -4.096 0.947 -0.147 0.00 0.00 +0.034 C ATOM 29 C LIG 1 -3.845 -0.464 0.538 0.00 0.00 -0.009 C ATOM 30 C LIG 1 -2.600 0.269 1.212 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -2.850 -0.693 -0.685 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 32 C LIG 1 -4.819 -1.419 1.120 0.00 0.00 +0.112 C BRANCH 32 33 ATOM 33 N LIG 1 -5.505 -0.804 2.257 0.00 0.00 -0.194 NA ATOM 34 H LIG 1 -4.940 -0.495 3.047 0.00 0.00 +0.148 HD BRANCH 33 35 ATOM 35 S LIG 1 -7.036 -1.327 2.687 0.00 0.00 +0.027 S ATOM 36 O LIG 1 -7.385 -0.592 3.881 0.00 0.00 -0.158 OA ATOM 37 O LIG 1 -7.869 -1.311 1.506 0.00 0.00 -0.158 OA ATOM 38 C LIG 1 -6.745 -3.022 3.152 0.00 0.00 +0.214 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8