REMARK Name = BDB016730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.660 2.321 1.117 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.414 2.388 -0.267 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.192 1.914 -0.760 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.196 1.383 0.050 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.854 1.020 -0.852 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.543 1.346 -2.116 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.422 1.350 1.439 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.694 1.855 -2.030 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.147 2.157 -2.884 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.645 1.818 1.947 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.254 -1.113 -0.705 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.783 -0.180 0.231 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.497 0.989 0.449 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.295 2.172 1.354 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.967 2.821 1.687 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.503 3.042 1.093 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.261 2.407 0.125 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.129 2.785 -0.221 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.742 4.103 1.645 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.719 2.020 2.732 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.687 1.195 -0.264 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.182 0.300 -1.188 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.447 -0.869 -1.409 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.864 -3.193 -1.796 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.462 -2.222 -0.839 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 2.115 0.417 -0.538 0.00 0.00 +0.031 C ATOM 27 C LIG 1 2.367 -0.441 0.465 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 3.687 -1.035 0.715 0.00 0.00 -0.025 A ATOM 29 C LIG 1 4.495 -1.518 -0.324 0.00 0.00 +0.012 A ATOM 30 C LIG 1 5.746 -2.101 -0.062 0.00 0.00 -0.033 A ATOM 31 C LIG 1 6.172 -2.214 1.269 0.00 0.00 +0.005 A ATOM 32 C LIG 1 5.368 -1.753 2.311 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.130 -1.171 2.035 0.00 0.00 +0.008 A BRANCH 30 34 ATOM 34 C LIG 1 6.612 -2.611 -1.196 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 7.549 -1.653 -1.801 0.00 0.00 -0.304 NA ATOM 36 C LIG 1 8.567 -1.175 -0.872 0.00 0.00 +0.104 C ATOM 37 C LIG 1 6.886 -0.542 -2.475 0.00 0.00 +0.104 C ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6