REMARK Name = BDB038398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.483 -0.328 -0.801 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.718 -0.142 -2.112 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.956 -0.332 -2.624 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.020 -0.684 -1.800 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.814 -0.875 -0.431 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.508 -0.721 0.052 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.217 0.994 0.677 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.337 0.845 -0.406 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.030 0.483 -0.134 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.915 0.273 -1.070 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.188 -0.087 -0.296 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.128 -0.119 1.121 0.00 0.00 +0.151 C ATOM 13 O LIG 1 1.053 0.416 -2.271 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.570 0.258 1.158 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.421 0.392 2.240 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.750 0.759 1.992 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.660 1.372 0.432 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.414 0.216 -0.046 0.00 0.00 -0.310 NA ATOM 19 H LIG 1 6.328 -0.547 0.623 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.824 0.527 -0.292 0.00 0.00 +0.109 C BRANCH 20 21 ATOM 21 C LIG 1 8.695 0.599 0.973 0.00 0.00 +0.174 C BRANCH 21 23 ATOM 22 C LIG 1 10.827 -0.085 0.163 0.00 0.00 +0.194 C ATOM 23 O LIG 1 10.040 0.981 0.679 0.00 0.00 -0.382 OA ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 24 ATOM 24 C LIG 1 -4.935 -1.207 0.475 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -5.212 -0.476 1.659 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -6.266 -0.870 2.503 0.00 0.00 +0.031 A ATOM 27 C LIG 1 -7.070 -1.964 2.178 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -6.819 -2.679 1.008 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -5.762 -2.307 0.171 0.00 0.00 +0.010 A BRANCH 25 30 ATOM 30 C LIG 1 -4.410 0.674 2.075 0.00 0.00 +0.164 A ATOM 31 N LIG 1 -4.375 1.907 1.471 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -5.147 2.373 0.352 0.00 0.00 +0.152 C ATOM 33 C LIG 1 -3.445 2.636 2.147 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -2.943 1.914 3.121 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -3.561 0.686 3.086 0.00 0.00 -0.129 NA ENDBRANCH 25 30 BRANCH 27 36 ATOM 36 C LIG 1 -8.148 -2.350 3.042 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -9.028 -2.658 3.732 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 5 24 BRANCH 3 38 ATOM 38 C LIG 1 -3.165 -0.121 -4.105 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -2.126 -0.607 -5.089 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -3.450 -1.304 -5.002 0.00 0.00 +0.010 C ENDBRANCH 3 38 TORSDOF 10