REMARK Name = BDB006479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.194 -1.156 1.913 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.207 -1.568 0.571 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.036 -2.104 -0.011 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.725 -2.596 -1.317 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -0.599 -3.010 -1.298 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.098 -2.771 -0.031 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -1.419 -3.598 -2.397 0.00 0.00 +0.064 C ATOM 8 C LIG 1 1.648 -2.659 -2.484 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.112 -2.226 0.774 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.132 -1.831 2.124 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.037 -1.301 2.678 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.280 0.084 1.728 0.00 0.00 -0.305 N ATOM 13 H LIG 1 3.910 0.394 0.840 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 3.404 -0.580 2.563 0.00 0.00 +0.245 C ATOM 15 O LIG 1 3.556 -0.676 3.775 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.414 0.838 2.256 0.00 0.00 +0.104 C ATOM 17 C LIG 1 6.491 -0.082 2.844 0.00 0.00 +0.033 C BRANCH 16 19 ATOM 18 C LIG 1 6.160 3.106 1.321 0.00 0.00 +0.125 A ATOM 19 C LIG 1 6.012 1.711 1.158 0.00 0.00 +0.017 A ATOM 20 C LIG 1 6.439 1.119 -0.047 0.00 0.00 +0.047 A ATOM 21 C LIG 1 6.986 1.897 -1.059 0.00 0.00 +0.124 A ATOM 22 F LIG 1 7.381 1.316 -2.199 0.00 0.00 -0.205 F ATOM 23 C LIG 1 7.125 3.267 -0.904 0.00 0.00 +0.042 A ATOM 24 C LIG 1 6.715 3.872 0.286 0.00 0.00 +0.049 A BRANCH 18 26 ATOM 25 C LIG 1 5.871 5.021 2.723 0.00 0.00 +0.277 C ATOM 26 O LIG 1 5.742 3.620 2.519 0.00 0.00 -0.495 OA ENDBRANCH 18 26 ENDBRANCH 16 19 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 -2.452 -3.099 0.421 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.496 -2.128 -0.077 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.670 -2.610 -0.674 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.661 -1.728 -1.115 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.514 -0.343 -0.960 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -4.344 0.136 -0.354 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -3.351 -0.744 0.088 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -6.554 0.584 -1.434 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -7.327 1.390 -0.574 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -8.247 2.318 -1.087 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -8.437 2.429 -2.463 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.702 1.624 -3.329 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.769 0.716 -2.820 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -7.213 1.328 0.896 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -7.100 2.284 1.641 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -7.349 0.074 1.358 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -7.271 0.163 2.330 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 9