REMARK Name = BDB000728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.365 0.001 0.409 0.00 0.00 -0.312 N ATOM 2 H LIG 1 -0.753 -0.076 1.224 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.516 -0.670 0.663 0.00 0.00 +0.197 A ATOM 4 N LIG 1 -3.705 -0.395 0.029 0.00 0.00 -0.307 N ATOM 5 C LIG 1 -4.649 -1.280 0.507 0.00 0.00 +0.070 A ATOM 6 C LIG 1 -3.965 -2.010 1.475 0.00 0.00 +0.091 A ATOM 7 C LIG 1 -4.640 -3.007 2.194 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -5.991 -3.243 1.915 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -6.658 -2.499 0.940 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -6.001 -1.498 0.214 0.00 0.00 +0.028 A ATOM 11 N LIG 1 -2.658 -1.604 1.570 0.00 0.00 -0.214 NA BRANCH 4 12 ATOM 12 C LIG 1 -3.942 0.647 -0.956 0.00 0.00 +0.160 C BRANCH 12 13 ATOM 13 C LIG 1 -4.668 1.838 -0.372 0.00 0.00 -0.027 A ATOM 14 C LIG 1 -5.938 2.202 -0.849 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -6.603 3.308 -0.318 0.00 0.00 +0.038 A ATOM 16 C LIG 1 -5.999 4.055 0.686 0.00 0.00 +0.123 A ATOM 17 F LIG 1 -6.638 5.117 1.194 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -4.741 3.719 1.169 0.00 0.00 +0.038 A ATOM 19 C LIG 1 -4.074 2.613 0.638 0.00 0.00 +0.008 A ENDBRANCH 12 13 ENDBRANCH 4 12 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 N LIG 1 2.015 -1.009 -2.037 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 1.277 0.231 -2.312 0.00 0.00 +0.086 C ATOM 22 C LIG 1 0.368 0.680 -1.168 0.00 0.00 +0.037 C ATOM 23 C LIG 1 -0.597 -0.440 -0.772 0.00 0.00 +0.075 C ATOM 24 C LIG 1 0.172 -1.734 -0.484 0.00 0.00 +0.037 C ATOM 25 C LIG 1 1.088 -2.088 -1.656 0.00 0.00 +0.086 C BRANCH 20 26 ATOM 26 C LIG 1 3.105 -0.858 -1.053 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 4.273 0.003 -1.564 0.00 0.00 +0.050 C BRANCH 27 31 ATOM 28 C LIG 1 7.533 0.026 1.281 0.00 0.00 +0.120 A ATOM 29 C LIG 1 7.499 -0.913 0.248 0.00 0.00 +0.046 A ATOM 30 C LIG 1 6.451 -0.920 -0.676 0.00 0.00 +0.007 A ATOM 31 C LIG 1 5.420 0.020 -0.581 0.00 0.00 -0.046 A ATOM 32 C LIG 1 5.454 0.959 0.459 0.00 0.00 +0.007 A ATOM 33 C LIG 1 6.505 0.963 1.383 0.00 0.00 +0.046 A BRANCH 28 35 ATOM 34 C LIG 1 8.695 0.857 3.181 0.00 0.00 +0.277 C ATOM 35 O LIG 1 8.613 -0.079 2.114 0.00 0.00 -0.495 OA ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 20 26 ENDBRANCH 1 23 TORSDOF 8