REMARK Name = BDB011540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.239 -1.762 2.008 0.00 0.00 +0.197 C ATOM 2 C LIG 1 -1.827 -1.350 2.371 0.00 0.00 +0.244 C ATOM 3 O LIG 1 -1.681 -0.516 3.275 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.728 -1.884 1.691 0.00 0.00 -0.262 N ATOM 5 C LIG 1 -0.733 -2.947 0.697 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -1.793 -3.829 0.407 0.00 0.00 +0.142 A ATOM 7 C LIG 1 -1.669 -4.802 -0.611 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -0.507 -4.949 -1.352 0.00 0.00 +0.004 A ATOM 9 C LIG 1 0.554 -4.111 -1.084 0.00 0.00 +0.002 A ATOM 10 O LIG 1 -3.038 -3.926 0.954 0.00 0.00 -0.488 OA ATOM 11 C LIG 1 0.436 -3.137 -0.083 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -3.312 -3.262 2.171 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.251 -0.058 0.509 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -3.629 -1.272 0.686 0.00 0.00 -0.300 N ATOM 15 H LIG 1 -3.283 -1.782 -0.115 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -4.672 0.601 1.459 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -4.471 0.367 -0.969 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -3.224 0.212 -1.840 0.00 0.00 +0.034 C BRANCH 17 19 ATOM 19 N LIG 1 -5.098 1.710 -1.035 0.00 0.00 -0.306 NA ATOM 20 H LIG 1 -5.699 1.799 -0.208 0.00 0.00 +0.123 HD BRANCH 19 22 ATOM 21 C LIG 1 -3.457 3.151 0.220 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -4.203 2.867 -1.075 0.00 0.00 +0.078 C ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 23 ATOM 23 C LIG 1 0.569 -1.297 2.101 0.00 0.00 +0.149 C BRANCH 23 24 ATOM 24 C LIG 1 1.079 -0.172 1.212 0.00 0.00 -0.016 A ATOM 25 C LIG 1 2.448 -0.040 0.860 0.00 0.00 +0.025 A ATOM 26 C LIG 1 3.614 -0.802 1.088 0.00 0.00 +0.143 A ATOM 27 N LIG 1 4.683 -0.318 0.462 0.00 0.00 -0.174 NA ATOM 28 N LIG 1 4.266 0.869 -0.052 0.00 0.00 -0.231 N ATOM 29 C LIG 1 2.886 1.021 0.061 0.00 0.00 +0.078 A ATOM 30 C LIG 1 1.979 1.940 -0.490 0.00 0.00 +0.066 A ATOM 31 C LIG 1 0.643 1.823 -0.125 0.00 0.00 +0.126 A ATOM 32 F LIG 1 -0.244 2.698 -0.617 0.00 0.00 -0.205 F ATOM 33 C LIG 1 0.200 0.816 0.723 0.00 0.00 +0.044 A BRANCH 28 34 ATOM 34 C LIG 1 5.223 1.722 -0.669 0.00 0.00 +0.083 A ATOM 35 C LIG 1 5.200 3.121 -0.544 0.00 0.00 +0.077 A ATOM 36 C LIG 1 6.162 3.885 -1.228 0.00 0.00 +0.021 A ATOM 37 C LIG 1 7.151 3.271 -1.997 0.00 0.00 +0.001 A ATOM 38 C LIG 1 7.207 1.883 -2.072 0.00 0.00 +0.002 A ATOM 39 C LIG 1 6.257 1.110 -1.404 0.00 0.00 +0.029 A BRANCH 35 40 ATOM 40 C LIG 1 4.336 3.824 0.361 0.00 0.00 +0.101 C ATOM 41 N LIG 1 3.653 4.414 1.090 0.00 0.00 -0.191 NA ENDBRANCH 35 40 ENDBRANCH 28 34 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 8