REMARK Name = BDB035861 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.160 1.885 -0.566 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -1.253 2.214 -0.839 0.00 0.00 +0.108 C ATOM 3 C LIG 1 -1.571 2.226 0.677 0.00 0.00 +0.101 C ATOM 4 C LIG 1 -0.036 2.166 0.871 0.00 0.00 +0.108 C ENDROOT BRANCH 3 5 ATOM 5 N LIG 1 -2.279 1.037 1.162 0.00 0.00 -0.326 N ATOM 6 C LIG 1 -2.287 0.889 2.631 0.00 0.00 +0.129 C BRANCH 5 7 ATOM 7 C LIG 1 -3.548 0.646 0.641 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -4.003 -0.676 0.745 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -5.188 -1.136 0.274 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -5.973 -0.222 -0.359 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -5.620 1.110 -0.529 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -4.393 1.541 -0.025 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -7.287 -0.720 -0.883 0.00 0.00 +0.262 C ATOM 14 N LIG 1 -7.498 -2.069 -0.690 0.00 0.00 -0.313 N ATOM 15 H LIG 1 -6.794 -2.554 -0.139 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -8.745 -2.708 -1.008 0.00 0.00 +0.128 C ATOM 17 O LIG 1 -8.088 0.034 -1.423 0.00 0.00 -0.269 OA ENDBRANCH 10 13 ENDBRANCH 5 7 ENDBRANCH 3 5 BRANCH 1 18 ATOM 18 C LIG 1 0.390 0.448 -0.796 0.00 0.00 +0.121 C BRANCH 18 28 ATOM 19 C LIG 1 6.763 -0.670 -0.007 0.00 0.00 +0.019 A ATOM 20 C LIG 1 6.604 0.522 -0.905 0.00 0.00 +0.252 A ATOM 21 O LIG 1 7.571 1.125 -1.359 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 5.323 0.915 -1.199 0.00 0.00 -0.321 N ATOM 23 H LIG 1 5.231 1.718 -1.806 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 4.189 0.271 -0.693 0.00 0.00 +0.068 A ATOM 25 C LIG 1 4.331 -0.826 0.153 0.00 0.00 +0.088 A ATOM 26 N LIG 1 3.293 -1.503 0.688 0.00 0.00 -0.253 NA ATOM 27 C LIG 1 2.057 -1.057 0.358 0.00 0.00 +0.116 A ATOM 28 C LIG 1 1.806 0.035 -0.473 0.00 0.00 -0.013 A ATOM 29 C LIG 1 2.910 0.706 -1.014 0.00 0.00 +0.034 A ATOM 30 C LIG 1 5.674 -1.284 0.491 0.00 0.00 +0.038 A BRANCH 19 32 ATOM 31 C LIG 1 8.812 -1.883 -0.808 0.00 0.00 +0.009 C ATOM 32 C LIG 1 8.165 -1.099 0.326 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 6