REMARK Name = BDB016741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.728 -0.416 2.038 0.00 0.00 +0.093 A ATOM 2 C LIG 1 -0.219 -0.910 1.086 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.456 -0.757 1.701 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -2.667 -1.115 1.097 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -2.643 -1.649 -0.205 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -1.396 -1.841 -0.821 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -1.183 -0.224 2.930 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -1.846 0.020 3.656 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -0.188 -1.483 -0.200 0.00 0.00 +0.012 A ATOM 10 N LIG 1 0.121 -0.028 3.170 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -3.929 -2.043 -0.894 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -5.001 -1.030 -1.248 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -4.940 0.447 -0.977 0.00 0.00 -0.010 A ATOM 14 C LIG 1 -6.232 0.879 -0.621 0.00 0.00 +0.041 A ATOM 15 C LIG 1 -6.510 2.192 -0.283 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -5.458 3.108 -0.319 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.167 2.703 -0.691 0.00 0.00 +0.000 A ATOM 18 N LIG 1 -7.115 -0.219 -0.683 0.00 0.00 -0.262 N ATOM 19 C LIG 1 -3.904 1.370 -1.025 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -6.450 -1.387 -1.025 0.00 0.00 +0.231 C ATOM 21 O LIG 1 -6.911 -2.517 -1.086 0.00 0.00 -0.274 OA ATOM 22 C LIG 1 -4.190 -1.667 -2.339 0.00 0.00 +0.031 C BRANCH 18 23 ATOM 23 C LIG 1 -8.524 -0.165 -0.367 0.00 0.00 +0.209 C BRANCH 23 24 ATOM 24 C LIG 1 -8.798 -0.485 1.101 0.00 0.00 +0.228 C ATOM 25 O LIG 1 -9.632 0.117 1.772 0.00 0.00 -0.274 OA ATOM 26 N LIG 1 -8.158 -1.580 1.615 0.00 0.00 -0.328 N ATOM 27 H LIG 1 -7.781 -2.283 0.986 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 -8.463 -1.891 2.527 0.00 0.00 +0.145 HD ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 5 11 BRANCH 1 30 ATOM 29 C LIG 1 2.841 -0.136 0.768 0.00 0.00 +0.010 C ATOM 30 C LIG 1 2.152 -0.338 1.904 0.00 0.00 +0.031 C BRANCH 29 34 ATOM 31 C LIG 1 7.115 0.143 0.470 0.00 0.00 -0.033 A ATOM 32 C LIG 1 6.361 -0.532 -0.499 0.00 0.00 +0.005 A ATOM 33 C LIG 1 4.971 -0.620 -0.388 0.00 0.00 +0.008 A ATOM 34 C LIG 1 4.306 -0.048 0.703 0.00 0.00 -0.025 A ATOM 35 C LIG 1 5.057 0.637 1.666 0.00 0.00 +0.008 A ATOM 36 C LIG 1 6.449 0.726 1.555 0.00 0.00 +0.005 A BRANCH 31 37 ATOM 37 C LIG 1 8.624 0.223 0.354 0.00 0.00 +0.119 C BRANCH 37 39 ATOM 38 C LIG 1 8.763 2.255 -0.968 0.00 0.00 +0.104 C ATOM 39 N LIG 1 9.086 0.827 -0.908 0.00 0.00 -0.304 NA ATOM 40 C LIG 1 10.531 0.638 -1.053 0.00 0.00 +0.104 C ENDBRANCH 37 39 ENDBRANCH 31 37 ENDBRANCH 29 34 ENDBRANCH 1 30 TORSDOF 7