REMARK Name = BDB031928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.271 2.542 -0.041 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.649 2.111 -1.230 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.367 1.556 -1.152 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.658 1.436 0.035 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.576 0.807 -0.327 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.627 0.584 -1.643 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -1.254 1.906 1.220 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.546 1.028 -2.108 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.728 0.940 -3.100 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.547 2.452 1.160 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.218 -1.482 -1.241 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.042 -0.263 -0.576 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.810 0.830 -0.958 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.867 2.260 -0.497 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.677 3.098 -0.069 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.954 2.877 -1.347 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.423 1.884 -2.190 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.160 2.041 -2.860 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.328 4.036 -1.284 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.705 2.636 0.947 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.763 0.672 -1.976 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.981 -0.519 -2.633 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.191 -1.605 -2.252 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.329 -2.488 -0.210 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.511 -2.628 -0.992 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.533 0.541 0.590 0.00 0.00 -0.280 N ATOM 27 H LIG 1 1.380 0.805 1.555 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 2.620 -0.363 0.523 0.00 0.00 +0.166 A ATOM 29 C LIG 1 3.616 -0.259 1.522 0.00 0.00 +0.161 A ATOM 30 C LIG 1 4.728 -1.102 1.460 0.00 0.00 +0.063 A ATOM 31 C LIG 1 4.831 -2.014 0.411 0.00 0.00 +0.059 A ATOM 32 C LIG 1 3.799 -2.079 -0.509 0.00 0.00 +0.126 A ATOM 33 N LIG 1 2.714 -1.272 -0.475 0.00 0.00 -0.236 NA BRANCH 31 34 ATOM 34 C LIG 1 5.971 -2.943 0.271 0.00 0.00 +0.248 C ATOM 35 N LIG 1 7.222 -2.470 0.618 0.00 0.00 -0.297 N ATOM 36 C LIG 1 7.778 -1.149 0.309 0.00 0.00 +0.109 C ATOM 37 C LIG 1 9.157 -1.800 0.452 0.00 0.00 +0.038 C ATOM 38 C LIG 1 8.470 -3.155 0.267 0.00 0.00 +0.109 C ATOM 39 O LIG 1 5.771 -4.084 -0.135 0.00 0.00 -0.270 OA ENDBRANCH 31 34 BRANCH 29 40 ATOM 40 O LIG 1 3.387 0.670 2.511 0.00 0.00 -0.492 OA ATOM 41 C LIG 1 4.435 0.891 3.448 0.00 0.00 +0.277 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6