REMARK Name = BDB016677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.104 -2.096 0.704 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.923 -2.090 -0.692 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.733 -1.572 -1.216 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.694 -1.095 -0.427 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.310 -0.676 -1.358 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.106 -0.833 -2.623 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.861 -1.120 0.970 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.315 -1.402 -2.506 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.818 -1.637 -3.353 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.055 -1.624 1.510 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.688 1.380 -0.933 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.203 0.427 -0.029 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.945 -0.726 0.196 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.725 -1.939 1.058 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.390 -2.613 1.309 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.959 -2.781 0.827 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.752 -2.101 -0.080 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.641 -2.453 -0.399 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.187 -3.857 1.353 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.088 -1.844 2.414 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.173 -0.889 -0.463 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.690 0.038 -1.341 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.927 1.184 -1.573 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.715 2.702 -0.813 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.053 2.545 -1.274 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.596 -0.113 -1.071 0.00 0.00 +0.031 C ATOM 27 C LIG 1 2.363 -0.371 0.002 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 3.688 0.223 0.225 0.00 0.00 -0.025 A ATOM 29 C LIG 1 4.694 -0.559 0.803 0.00 0.00 +0.008 A ATOM 30 C LIG 1 5.959 -0.021 1.058 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.244 1.315 0.747 0.00 0.00 -0.033 A ATOM 32 C LIG 1 5.229 2.103 0.189 0.00 0.00 +0.005 A ATOM 33 C LIG 1 3.964 1.564 -0.067 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 7.614 1.899 1.022 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 8.611 1.801 -0.055 0.00 0.00 -0.304 NA ATOM 36 C LIG 1 8.244 2.551 -1.251 0.00 0.00 +0.104 C ATOM 37 C LIG 1 8.973 0.427 -0.384 0.00 0.00 +0.104 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6