REMARK Name = BDB038750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.314 0.247 0.279 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.929 0.221 0.481 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -2.108 1.071 -0.247 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.614 1.930 -1.163 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.950 1.962 -1.385 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.817 1.148 -0.661 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.713 1.088 -0.076 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.044 0.374 0.842 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.287 -0.400 1.722 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.448 0.732 0.595 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.490 1.652 -0.447 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.700 2.158 -0.882 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.867 1.717 -0.245 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.826 0.777 0.816 0.00 0.00 -0.028 A ATOM 15 C LIG 1 2.584 0.280 1.243 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.106 1.934 -0.929 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.100 0.320 1.505 0.00 0.00 +0.110 C ATOM 18 N LIG 1 6.106 -0.117 0.511 0.00 0.00 -0.302 NA ATOM 19 H LIG 1 5.725 -0.917 0.006 0.00 0.00 +0.123 HD ATOM 20 C LIG 1 7.351 -0.515 1.204 0.00 0.00 +0.083 C ATOM 21 C LIG 1 7.852 0.626 2.121 0.00 0.00 +0.178 C ATOM 22 O LIG 1 6.859 0.989 3.091 0.00 0.00 -0.376 OA ATOM 23 C LIG 1 5.662 1.426 2.428 0.00 0.00 +0.183 C BRANCH 20 24 ATOM 24 C LIG 1 8.429 -0.848 0.161 0.00 0.00 +0.008 C ATOM 25 C LIG 1 8.200 -2.119 -0.711 0.00 0.00 +0.005 C ATOM 26 C LIG 1 9.074 -2.898 0.288 0.00 0.00 +0.001 C ATOM 27 C LIG 1 9.715 -1.556 0.680 0.00 0.00 +0.005 C ENDBRANCH 20 24 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 29 ATOM 28 C LIG 1 -6.026 -1.629 0.446 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -5.204 -0.645 1.048 0.00 0.00 -0.007 A ATOM 30 C LIG 1 -5.237 -0.517 2.452 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -6.050 -1.335 3.242 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.846 -2.309 2.643 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.831 -2.456 1.253 0.00 0.00 +0.031 A BRANCH 28 36 ATOM 34 C LIG 1 -8.439 -1.226 -1.479 0.00 0.00 +0.152 C ATOM 35 N LIG 1 -7.121 -1.680 -1.832 0.00 0.00 -0.317 N ATOM 36 C LIG 1 -6.038 -1.847 -1.002 0.00 0.00 +0.164 A ATOM 37 N LIG 1 -5.013 -2.224 -1.743 0.00 0.00 -0.129 NA ATOM 38 N LIG 1 -5.427 -2.314 -3.051 0.00 0.00 -0.138 NA ATOM 39 C LIG 1 -6.695 -1.984 -3.088 0.00 0.00 +0.225 A ENDBRANCH 28 36 BRANCH 32 40 ATOM 40 C LIG 1 -7.679 -3.155 3.446 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -8.371 -3.832 4.085 0.00 0.00 -0.191 NA ENDBRANCH 32 40 ENDBRANCH 1 29 BRANCH 5 42 ATOM 42 C LIG 1 -4.484 2.914 -2.428 0.00 0.00 +0.038 C ATOM 43 C LIG 1 -3.805 3.014 -3.775 0.00 0.00 +0.010 C ATOM 44 C LIG 1 -5.154 2.369 -3.670 0.00 0.00 +0.010 C ENDBRANCH 5 42 TORSDOF 7