REMARK Name = BDB038711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.949 0.079 1.044 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.773 0.428 0.365 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.602 -0.294 0.578 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.585 -1.333 1.430 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.697 -1.684 2.117 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.884 -0.981 1.950 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.414 0.044 -0.105 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.793 -0.649 0.010 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.101 -1.649 0.630 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.764 0.061 -0.836 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.122 1.138 -1.437 0.00 0.00 -0.018 A ATOM 12 C LIG 1 1.813 1.977 -2.292 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.167 1.707 -2.532 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.817 0.607 -1.924 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.099 -0.226 -1.053 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.300 1.182 -0.997 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.285 0.351 -2.173 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.093 0.954 -1.114 0.00 0.00 -0.311 NA ATOM 19 H LIG 1 5.890 1.952 -1.079 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.521 0.724 -1.335 0.00 0.00 +0.092 C BRANCH 20 21 ATOM 21 C LIG 1 8.407 1.240 -0.197 0.00 0.00 +0.027 C ATOM 22 C LIG 1 8.280 2.723 0.211 0.00 0.00 +0.170 C ATOM 23 O LIG 1 8.242 2.360 1.617 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 7.957 0.978 1.258 0.00 0.00 +0.170 C ATOM 25 C LIG 1 9.871 0.841 -0.428 0.00 0.00 +0.017 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -6.409 0.158 0.391 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -5.213 0.802 0.795 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.245 2.199 0.989 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -6.417 2.937 0.796 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -7.592 2.293 0.412 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -7.587 0.910 0.217 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 -4.962 -1.598 -1.806 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -5.850 -2.036 -0.765 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -6.508 -1.287 0.181 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -7.281 -2.100 0.878 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -7.098 -3.381 0.420 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -6.233 -3.328 -0.564 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 -8.797 3.046 0.220 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.762 3.668 0.053 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -2.618 -2.852 3.070 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.474 -4.078 2.845 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -1.996 -4.151 2.609 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 9