REMARK Name = BDB011744 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.615 0.805 -0.602 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.868 1.008 -0.386 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.396 2.017 -0.878 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.601 0.053 0.326 0.00 0.00 -0.264 N ATOM 5 C LIG 1 1.169 -1.280 0.779 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.011 -1.996 0.406 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.166 -3.341 0.835 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.722 -3.966 1.701 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.812 -3.260 2.150 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.049 -1.531 -0.462 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -2.422 -1.805 -0.314 0.00 0.00 +0.220 C ATOM 12 O LIG 1 -3.205 -1.665 -1.257 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 2.027 -1.956 1.690 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.735 -0.476 -1.399 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -1.918 2.906 -0.650 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -1.162 1.959 -1.324 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -0.571 2.317 -2.067 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -2.307 2.738 0.503 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -2.201 4.172 -1.494 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -1.039 5.147 -1.310 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -4.628 4.012 -1.420 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -3.464 4.834 -1.113 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -3.544 5.723 -1.604 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 3.014 0.456 0.561 0.00 0.00 +0.152 C BRANCH 24 25 ATOM 25 C LIG 1 4.034 -0.327 -0.252 0.00 0.00 +0.012 A ATOM 26 C LIG 1 5.230 -0.790 0.331 0.00 0.00 +0.125 A ATOM 27 C LIG 1 6.156 -1.489 -0.453 0.00 0.00 +0.046 A ATOM 28 C LIG 1 5.914 -1.711 -1.810 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.750 -1.231 -2.398 0.00 0.00 +0.001 A ATOM 30 C LIG 1 3.820 -0.538 -1.627 0.00 0.00 +0.009 A BRANCH 26 31 ATOM 31 O LIG 1 5.397 -0.516 1.664 0.00 0.00 -0.495 OA ATOM 32 C LIG 1 6.637 -0.878 2.259 0.00 0.00 +0.277 C ENDBRANCH 26 31 ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 33 ATOM 33 C LIG 1 -2.934 -2.205 1.073 0.00 0.00 +0.099 C BRANCH 33 34 ATOM 34 C LIG 1 -4.315 -1.635 1.454 0.00 0.00 -0.008 C ATOM 35 C LIG 1 -5.468 -2.271 0.678 0.00 0.00 +0.008 C ATOM 36 C LIG 1 -4.360 -0.109 1.357 0.00 0.00 +0.008 C ENDBRANCH 33 34 ENDBRANCH 11 33 TORSDOF 8