REMARK Name = BDB031897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.664 -1.274 -2.292 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.966 -2.474 -2.057 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.640 -2.402 -1.614 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.969 -1.206 -1.405 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.339 -1.581 -0.958 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -0.460 -2.910 -0.901 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 1.654 -0.003 -1.656 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.733 -3.374 -1.299 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.868 -4.377 -1.335 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.984 -0.059 -2.101 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.475 0.401 1.681 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.344 -0.387 0.528 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.112 -0.097 -0.590 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.233 -0.718 -1.952 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.095 -1.284 -2.778 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.312 0.095 -2.631 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.708 1.073 -1.735 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.427 1.746 -1.948 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.734 -0.094 -3.759 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.126 -2.202 -2.154 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.017 0.973 -0.526 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.174 1.768 0.589 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.386 1.473 1.705 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.729 0.793 3.908 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.662 0.022 2.715 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.278 -0.654 -0.653 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -1.028 0.328 -0.751 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.611 -0.765 -0.198 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -3.366 0.402 0.035 0.00 0.00 +0.237 A ATOM 30 N LIG 1 -4.647 0.434 0.467 0.00 0.00 -0.207 NA ATOM 31 C LIG 1 -5.223 -0.779 0.690 0.00 0.00 +0.129 A ATOM 32 C LIG 1 -4.579 -1.992 0.494 0.00 0.00 +0.035 A ATOM 33 C LIG 1 -3.258 -1.977 0.045 0.00 0.00 +0.031 A BRANCH 31 34 ATOM 34 C LIG 1 -6.645 -0.757 1.167 0.00 0.00 +0.263 C ATOM 35 N LIG 1 -7.158 0.511 1.354 0.00 0.00 -0.308 N ATOM 36 H LIG 1 -6.560 1.271 1.040 0.00 0.00 +0.149 HD ATOM 37 O LIG 1 -7.276 -1.789 1.355 0.00 0.00 -0.269 OA BRANCH 35 38 ATOM 38 C LIG 1 -8.559 0.757 1.642 0.00 0.00 +0.067 C ATOM 39 C LIG 1 -9.384 0.728 0.358 0.00 0.00 +0.027 C ATOM 40 C LIG 1 -8.719 2.093 2.359 0.00 0.00 +0.027 C ENDBRANCH 35 38 ENDBRANCH 31 34 BRANCH 29 41 ATOM 41 O LIG 1 -2.707 1.602 -0.213 0.00 0.00 -0.478 OA ATOM 42 C LIG 1 -3.511 2.748 0.047 0.00 0.00 +0.279 C ENDBRANCH 29 41 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7