REMARK Name = BDB038677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.631 0.986 0.507 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.952 1.267 1.784 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.241 1.449 2.159 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.263 1.319 1.221 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.968 1.019 -0.112 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.619 0.885 -0.463 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.293 0.058 -0.159 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.306 0.439 0.762 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.996 0.494 0.320 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.786 0.857 1.071 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.279 0.764 0.176 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.156 0.338 -1.144 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.837 1.165 2.248 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.630 0.187 -0.985 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.585 -0.197 -1.908 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.919 -0.260 -1.487 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.744 -0.019 0.261 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.224 -1.400 0.212 0.00 0.00 -0.311 NA ATOM 19 H LIG 1 5.595 -1.974 0.774 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.583 -1.541 0.750 0.00 0.00 +0.096 C BRANCH 20 21 ATOM 21 C LIG 1 8.683 -0.955 -0.159 0.00 0.00 +0.095 C BRANCH 21 23 ATOM 22 C LIG 1 11.056 -0.628 -0.430 0.00 0.00 +0.101 C ATOM 23 N LIG 1 10.011 -1.167 0.431 0.00 0.00 -0.318 NA ATOM 24 H LIG 1 10.056 -0.707 1.341 0.00 0.00 +0.122 HD ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -5.043 0.825 -1.109 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -5.140 -0.334 -1.920 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -6.162 -0.441 -2.881 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -7.108 0.575 -3.033 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -7.032 1.713 -2.230 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -6.010 1.836 -1.283 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 -4.181 -1.435 -1.830 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -4.033 -2.311 -0.783 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -4.806 -2.400 0.426 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -2.980 -3.113 -1.103 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -2.510 -2.772 -2.279 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -3.275 -1.730 -2.744 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 -8.150 0.451 -4.010 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.003 0.353 -4.791 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -3.479 1.771 3.620 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -4.679 1.246 4.373 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.573 2.713 4.063 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 10