REMARK Name = BDB019902 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.261 1.016 0.035 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -1.315 1.485 -0.877 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.387 0.595 -1.421 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.419 -0.766 -1.095 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.351 -1.252 -0.167 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.276 -0.345 0.384 0.00 0.00 +0.014 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -5.125 2.827 1.216 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -4.211 3.663 1.737 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -3.023 3.126 1.385 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -3.215 1.929 0.630 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -4.582 1.769 0.551 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -1.703 3.739 1.771 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -1.800 4.661 2.768 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -0.815 2.800 2.206 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -1.110 4.363 0.716 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -7.058 2.563 2.717 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -6.538 3.104 1.397 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 0.606 1.093 -2.393 0.00 0.00 +0.244 C ATOM 19 N LIG 1 1.940 0.870 -2.155 0.00 0.00 -0.307 N ATOM 20 H LIG 1 2.518 1.280 -2.878 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 0.227 1.678 -3.401 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 2.547 0.772 -0.839 0.00 0.00 +0.139 C BRANCH 22 23 ATOM 23 C LIG 1 3.947 0.222 -0.928 0.00 0.00 -0.030 A ATOM 24 C LIG 1 4.210 -1.103 -0.543 0.00 0.00 +0.011 A ATOM 25 C LIG 1 5.503 -1.637 -0.638 0.00 0.00 -0.015 A ATOM 26 C LIG 1 5.784 -3.037 -0.182 0.00 0.00 +0.047 C ATOM 27 C LIG 1 6.532 -0.819 -1.104 0.00 0.00 +0.126 A ATOM 28 F LIG 1 7.784 -1.295 -1.184 0.00 0.00 -0.205 F ATOM 29 C LIG 1 6.291 0.495 -1.492 0.00 0.00 +0.039 A ATOM 30 C LIG 1 4.999 1.017 -1.406 0.00 0.00 +0.008 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 31 ATOM 31 C LIG 1 -1.433 -2.717 0.213 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -0.182 -3.427 0.059 0.00 0.00 -0.295 N ATOM 33 C LIG 1 0.951 -3.253 0.825 0.00 0.00 +0.296 A ATOM 34 N LIG 1 1.205 -2.416 1.764 0.00 0.00 -0.250 NA ATOM 35 H LIG 1 0.394 -1.817 1.915 0.00 0.00 +0.191 HD ATOM 36 O LIG 1 1.936 -4.157 0.442 0.00 0.00 -0.431 OA ATOM 37 C LIG 1 1.292 -4.858 -0.583 0.00 0.00 +0.217 A ATOM 38 C LIG 1 0.052 -4.447 -0.818 0.00 0.00 +0.129 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8