REMARK Name = BDB022424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.524 0.059 1.413 0.00 0.00 -0.035 A ATOM 2 C LIG 1 -1.297 0.389 0.797 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.930 1.720 0.521 0.00 0.00 -0.018 A ATOM 4 C LIG 1 -1.828 2.735 0.876 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -3.042 2.434 1.496 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.380 1.109 1.771 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.368 2.044 -0.093 0.00 0.00 -0.015 A ATOM 8 C LIG 1 0.454 2.870 -1.220 0.00 0.00 +0.048 A ATOM 9 C LIG 1 1.695 3.185 -1.768 0.00 0.00 +0.145 A ATOM 10 F LIG 1 1.736 3.990 -2.842 0.00 0.00 -0.204 F ATOM 11 C LIG 1 2.891 2.688 -1.236 0.00 0.00 +0.069 A ATOM 12 C LIG 1 2.814 1.879 -0.108 0.00 0.00 +0.027 A ATOM 13 C LIG 1 1.567 1.552 0.447 0.00 0.00 +0.010 A BRANCH 11 14 ATOM 14 N LIG 1 4.087 3.100 -1.862 0.00 0.00 -0.280 N ATOM 15 H LIG 1 3.984 3.870 -2.515 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 5.389 2.727 -1.726 0.00 0.00 +0.241 C ATOM 17 O LIG 1 6.288 3.433 -2.181 0.00 0.00 -0.271 OA BRANCH 16 18 ATOM 18 C LIG 1 5.756 1.455 -1.076 0.00 0.00 +0.064 C ATOM 19 C LIG 1 5.310 0.281 -1.552 0.00 0.00 -0.007 C BRANCH 19 20 ATOM 20 C LIG 1 5.604 -1.109 -1.061 0.00 0.00 +0.112 C BRANCH 20 21 ATOM 21 N LIG 1 6.392 -1.303 0.136 0.00 0.00 -0.294 NA ATOM 22 C LIG 1 7.836 -1.091 0.044 0.00 0.00 +0.113 C ATOM 23 C LIG 1 8.411 -0.294 1.227 0.00 0.00 +0.175 C ATOM 24 O LIG 1 8.040 -0.802 2.513 0.00 0.00 -0.377 OA ATOM 25 C LIG 1 6.729 -1.379 2.556 0.00 0.00 +0.175 C ATOM 26 C LIG 1 5.806 -0.927 1.413 0.00 0.00 +0.113 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -2.592 -2.399 0.592 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -2.831 -1.403 1.734 0.00 0.00 +0.102 C BRANCH 28 29 ATOM 29 C LIG 1 -4.117 -1.692 2.514 0.00 0.00 +0.225 C ATOM 30 N LIG 1 -5.372 -1.661 1.997 0.00 0.00 -0.268 N ATOM 31 H LIG 1 -6.075 -1.893 2.684 0.00 0.00 +0.156 HD ATOM 32 O LIG 1 -4.040 -1.991 3.717 0.00 0.00 -0.275 OA BRANCH 30 33 ATOM 33 C LIG 1 -5.838 -1.322 0.752 0.00 0.00 +0.147 A ATOM 34 N LIG 1 -5.095 -0.966 -0.293 0.00 0.00 -0.158 NA ATOM 35 N LIG 1 -5.976 -0.731 -1.278 0.00 0.00 -0.280 N ATOM 36 H LIG 1 -5.627 -0.460 -2.191 0.00 0.00 +0.189 HD ATOM 37 C LIG 1 -7.267 -0.923 -0.893 0.00 0.00 +0.041 A ATOM 38 C LIG 1 -7.219 -1.303 0.424 0.00 0.00 +0.068 A BRANCH 37 39 ATOM 39 C LIG 1 -8.525 -0.730 -1.763 0.00 0.00 +0.037 C ATOM 40 C LIG 1 -8.650 -1.513 -3.043 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -9.522 -1.853 -1.869 0.00 0.00 +0.010 C ENDBRANCH 37 39 ENDBRANCH 30 33 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 9