REMARK Name = BDB011383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.019 -1.147 0.386 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.143 -0.599 -0.565 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.125 -0.808 -0.105 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.521 -0.523 -0.536 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.281 -1.254 0.541 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.405 -1.799 1.524 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.658 -2.421 2.542 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.077 -1.511 1.062 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.256 -1.726 1.398 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.673 -1.390 0.558 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.362 -1.821 1.633 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.746 -1.931 1.653 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.381 -2.386 2.883 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.545 -1.587 0.562 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.772 -1.642 0.566 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.789 -1.144 -0.650 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.676 -0.762 -2.077 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.451 -1.067 -0.629 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 22 ATOM 19 C LIG 1 6.178 -1.168 0.072 0.00 0.00 +0.321 A ATOM 20 N LIG 1 5.615 -0.027 0.497 0.00 0.00 -0.159 NA ATOM 21 C LIG 1 4.271 -0.037 0.603 0.00 0.00 +0.230 A ATOM 22 C LIG 1 3.477 -1.128 0.286 0.00 0.00 +0.078 A ATOM 23 C LIG 1 4.177 -2.242 -0.129 0.00 0.00 +0.131 A ATOM 24 N LIG 1 5.519 -2.288 -0.253 0.00 0.00 -0.202 NA BRANCH 19 26 ATOM 25 C LIG 1 8.222 -0.069 0.340 0.00 0.00 +0.280 C ATOM 26 O LIG 1 7.546 -1.248 -0.073 0.00 0.00 -0.466 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 3.631 1.109 1.044 0.00 0.00 -0.479 OA ATOM 28 C LIG 1 4.522 2.151 1.426 0.00 0.00 +0.279 C ENDBRANCH 21 27 ENDBRANCH 1 22 BRANCH 4 29 ATOM 29 C LIG 1 -1.853 0.963 -0.563 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -2.326 1.559 -1.745 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -2.645 2.920 -1.783 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -2.495 3.709 -0.640 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -2.028 3.131 0.542 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -1.712 1.770 0.580 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 C LIG 1 -2.815 5.106 -0.682 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -3.068 6.238 -0.721 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 4 29 BRANCH 2 37 ATOM 37 C LIG 1 1.560 0.009 -1.831 0.00 0.00 +0.081 C ATOM 38 C LIG 1 1.521 1.535 -1.791 0.00 0.00 +0.030 C ATOM 39 C LIG 1 0.812 -0.546 -3.044 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 7