REMARK Name = BDB037323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.001 1.871 -1.756 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.898 1.097 -0.998 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -1.040 -0.271 -1.117 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.332 -0.543 -0.593 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.841 0.547 0.018 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 -0.061 -1.101 -1.879 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.230 -0.291 -2.152 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.870 1.496 -0.088 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.875 1.144 -2.603 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.394 1.643 -3.603 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.218 -2.390 -1.113 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.338 -2.460 0.290 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.617 -3.672 0.925 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.797 -4.820 0.166 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.075 -5.979 0.777 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.701 -4.781 -1.217 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.416 -3.572 -1.855 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -1.905 2.620 0.782 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -0.728 3.295 1.130 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -0.778 4.383 2.004 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -1.996 4.790 2.547 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.166 4.103 2.228 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.123 3.014 1.355 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 C LIG 1 -3.119 -1.790 -0.662 0.00 0.00 +0.266 C ATOM 25 N LIG 1 -4.258 -1.742 0.112 0.00 0.00 -0.292 N ATOM 26 H LIG 1 -4.312 -0.907 0.690 0.00 0.00 +0.151 HD ATOM 27 O LIG 1 -2.790 -2.754 -1.339 0.00 0.00 -0.268 OA BRANCH 25 28 ATOM 28 C LIG 1 -5.037 -2.922 0.501 0.00 0.00 +0.116 C ATOM 29 C LIG 1 -6.276 -2.429 1.271 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -5.526 -3.729 -0.713 0.00 0.00 +0.047 C BRANCH 28 31 ATOM 31 C LIG 1 -4.243 -3.795 1.407 0.00 0.00 +0.088 C ATOM 32 N LIG 1 -3.633 -4.449 2.149 0.00 0.00 -0.194 NA ENDBRANCH 28 31 ENDBRANCH 25 28 ENDBRANCH 4 24 BRANCH 7 33 ATOM 33 N LIG 1 2.122 -0.152 -0.987 0.00 0.00 -0.299 N ATOM 34 H LIG 1 1.732 0.265 -0.154 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.491 -0.151 -1.136 0.00 0.00 +0.245 C ATOM 36 O LIG 1 4.063 -0.350 -2.199 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 4.278 0.153 0.089 0.00 0.00 +0.037 A ATOM 38 C LIG 1 5.503 0.819 -0.053 0.00 0.00 +0.025 A ATOM 39 C LIG 1 6.283 1.127 1.073 0.00 0.00 +0.056 A ATOM 40 C LIG 1 5.812 0.760 2.344 0.00 0.00 +0.012 A ATOM 41 C LIG 1 4.601 0.080 2.486 0.00 0.00 +0.001 A ATOM 42 C LIG 1 3.835 -0.228 1.361 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 7.586 1.873 0.919 0.00 0.00 +0.417 C ATOM 44 F LIG 1 8.462 1.632 1.934 0.00 0.00 -0.166 F ATOM 45 F LIG 1 7.403 3.222 0.897 0.00 0.00 -0.166 F ATOM 46 F LIG 1 8.251 1.563 -0.227 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 0.923 4.189 -1.920 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.268 3.264 -2.142 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 9