REMARK Name = BDB039449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.013 0.165 0.011 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -1.149 -0.657 0.189 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -2.410 -0.154 -0.091 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -3.742 -0.817 -0.005 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -4.660 0.264 -0.339 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -3.987 1.403 -0.756 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.447 2.425 -1.225 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.557 1.151 -0.545 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -1.485 1.997 -0.735 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -0.210 1.495 -0.449 0.00 0.00 +0.011 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 1.951 -3.146 3.547 0.00 0.00 +0.150 C ATOM 12 N LIG 1 2.918 -2.603 2.624 0.00 0.00 -0.335 N ATOM 13 C LIG 1 2.620 -1.709 1.627 0.00 0.00 +0.145 A ATOM 14 C LIG 1 3.802 -1.416 0.955 0.00 0.00 +0.060 A ATOM 15 C LIG 1 3.708 -0.503 -0.106 0.00 0.00 +0.134 A ATOM 16 C LIG 1 2.455 0.003 -0.445 0.00 0.00 +0.074 A ATOM 17 C LIG 1 1.339 -0.361 0.311 0.00 0.00 +0.077 A ATOM 18 C LIG 1 4.829 -2.185 1.570 0.00 0.00 +0.033 A ATOM 19 N LIG 1 1.393 -1.220 1.362 0.00 0.00 -0.229 NA ATOM 20 C LIG 1 4.256 -2.903 2.599 0.00 0.00 +0.088 A BRANCH 15 21 ATOM 21 O LIG 1 4.782 -0.148 -0.893 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 5.693 0.699 -0.184 0.00 0.00 +0.188 C ATOM 23 C LIG 1 7.122 0.146 -0.275 0.00 0.00 +0.125 C ATOM 24 N LIG 1 7.921 1.126 -1.035 0.00 0.00 -0.312 NA ATOM 25 H LIG 1 7.849 0.884 -2.026 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 7.237 2.406 -0.825 0.00 0.00 +0.084 C ATOM 27 C LIG 1 5.769 2.046 -0.896 0.00 0.00 +0.061 C ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -6.075 0.009 -0.580 0.00 0.00 +0.163 C ATOM 29 C LIG 1 -6.335 -0.344 -2.052 0.00 0.00 +0.240 C ATOM 30 O LIG 1 -5.516 -0.918 -2.769 0.00 0.00 -0.273 OA ATOM 31 N LIG 1 -7.605 -0.087 -2.518 0.00 0.00 -0.255 N ATOM 32 H LIG 1 -7.783 -0.348 -3.478 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 -8.679 0.399 -1.817 0.00 0.00 +0.219 C ATOM 34 O LIG 1 -9.792 0.466 -2.331 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 -8.439 0.756 -0.368 0.00 0.00 +0.098 C ATOM 36 C LIG 1 -6.990 1.149 -0.131 0.00 0.00 +0.041 C ENDBRANCH 5 28 TORSDOF 4