REMARK Name = BDB043758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.281 -2.125 -0.929 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -1.410 -1.592 -0.345 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -1.417 -1.504 0.667 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.029 -2.039 -2.128 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 0.662 -2.812 0.036 0.00 0.00 +0.172 C BRANCH 5 9 ATOM 6 C LIG 1 3.436 1.000 1.367 0.00 0.00 +0.086 A ATOM 7 C LIG 1 2.502 -0.079 1.514 0.00 0.00 +0.183 A ATOM 8 N LIG 1 2.239 -0.874 0.437 0.00 0.00 -0.282 N ATOM 9 C LIG 1 1.307 -1.781 0.882 0.00 0.00 +0.147 A ATOM 10 N LIG 1 1.036 -1.531 2.152 0.00 0.00 -0.133 NA ATOM 11 C LIG 1 2.850 -0.631 -0.776 0.00 0.00 +0.122 A ATOM 12 C LIG 1 3.707 0.410 -0.867 0.00 0.00 +0.088 A ATOM 13 N LIG 1 1.798 -0.455 2.554 0.00 0.00 -0.128 NA ATOM 14 N LIG 1 4.024 1.224 0.220 0.00 0.00 -0.246 NA BRANCH 12 15 ATOM 15 C LIG 1 4.365 0.711 -2.160 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.670 0.652 -3.379 0.00 0.00 +0.010 A ATOM 17 C LIG 1 4.312 0.951 -4.584 0.00 0.00 +0.001 A ATOM 18 C LIG 1 5.655 1.320 -4.586 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.356 1.399 -3.385 0.00 0.00 +0.001 A ATOM 20 C LIG 1 5.713 1.101 -2.180 0.00 0.00 +0.010 A ENDBRANCH 12 15 BRANCH 6 21 ATOM 21 C LIG 1 3.755 1.873 2.557 0.00 0.00 +0.059 C BRANCH 21 23 ATOM 22 C LIG 1 5.236 2.126 4.576 0.00 0.00 +0.004 C ATOM 23 C LIG 1 4.879 1.255 3.384 0.00 0.00 +0.003 C ENDBRANCH 21 23 ENDBRANCH 6 21 ENDBRANCH 5 9 ENDBRANCH 1 5 BRANCH 2 24 ATOM 24 C LIG 1 -2.387 -0.814 -1.104 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 -1.823 0.583 -1.540 0.00 0.00 +0.138 C BRANCH 25 26 ATOM 26 C LIG 1 -0.977 1.373 -0.502 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -0.412 2.658 -1.143 0.00 0.00 +0.006 C ATOM 28 C LIG 1 0.474 3.440 -0.178 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -0.264 3.771 1.113 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -0.829 2.516 1.765 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -1.710 1.714 0.805 0.00 0.00 +0.006 C ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 O LIG 1 -2.856 1.404 -2.093 0.00 0.00 -0.390 OA ATOM 33 H LIG 1 -3.315 1.859 -1.369 0.00 0.00 +0.210 HD ENDBRANCH 25 32 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 C LIG 1 -3.750 -0.761 -0.372 0.00 0.00 +0.028 C BRANCH 34 35 ATOM 35 C LIG 1 -4.545 -2.091 -0.403 0.00 0.00 -0.009 C ATOM 36 C LIG 1 -3.877 -3.217 0.412 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -4.853 -4.285 0.914 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -6.067 -4.420 0.009 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -6.852 -3.112 -0.076 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -5.981 -1.863 0.091 0.00 0.00 +0.003 C ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 2 24 TORSDOF 11