REMARK Name = BDB031903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.537 0.424 -1.052 0.00 0.00 +0.154 A ATOM 2 C LIG 1 0.580 -0.410 -1.375 0.00 0.00 +0.041 A ATOM 3 C LIG 1 1.567 0.459 -1.818 0.00 0.00 +0.068 A ATOM 4 C LIG 1 2.832 0.035 -2.242 0.00 0.00 +0.031 A ATOM 5 C LIG 1 3.133 -1.340 -2.200 0.00 0.00 -0.041 A ATOM 6 C LIG 1 2.132 -2.228 -1.769 0.00 0.00 +0.005 A ATOM 7 N LIG 1 1.008 1.702 -1.727 0.00 0.00 -0.275 N ATOM 8 H LIG 1 1.432 2.590 -1.967 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 0.865 -1.788 -1.354 0.00 0.00 +0.014 A ATOM 10 N LIG 1 -0.243 1.712 -1.253 0.00 0.00 -0.157 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 4.487 -1.840 -2.647 0.00 0.00 +0.040 C ATOM 12 C LIG 1 5.767 -1.464 -1.927 0.00 0.00 +0.081 C ATOM 13 C LIG 1 5.871 -0.577 -0.718 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.034 0.194 -0.854 0.00 0.00 +0.038 A ATOM 15 C LIG 1 7.443 1.121 0.082 0.00 0.00 +0.027 A ATOM 16 C LIG 1 6.645 1.282 1.219 0.00 0.00 +0.047 A ATOM 17 C LIG 1 5.476 0.517 1.392 0.00 0.00 +0.120 A ATOM 18 N LIG 1 7.681 -0.141 -2.044 0.00 0.00 -0.284 N ATOM 19 H LIG 1 8.549 0.253 -2.374 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 5.095 -0.419 0.420 0.00 0.00 +0.052 A ATOM 21 C LIG 1 7.002 -1.130 -2.733 0.00 0.00 +0.228 C ATOM 22 O LIG 1 7.316 -1.647 -3.792 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 5.246 -2.869 -1.833 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 4.630 0.589 2.466 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 4.923 1.562 3.459 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 26 ATOM 26 N LIG 1 -1.693 -0.088 -0.572 0.00 0.00 -0.278 N ATOM 27 H LIG 1 -1.777 -1.093 -0.476 0.00 0.00 +0.155 HD BRANCH 26 29 ATOM 28 C LIG 1 -3.971 -0.157 0.281 0.00 0.00 +0.257 A ATOM 29 C LIG 1 -2.970 0.511 -0.465 0.00 0.00 +0.187 A ATOM 30 N LIG 1 -3.247 1.712 -1.021 0.00 0.00 -0.233 NA ATOM 31 C LIG 1 -4.496 2.205 -0.827 0.00 0.00 +0.146 A ATOM 32 C LIG 1 -5.458 1.541 -0.079 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -5.220 0.329 0.485 0.00 0.00 -0.204 NA BRANCH 32 34 ATOM 34 C LIG 1 -6.817 2.147 0.040 0.00 0.00 +0.266 C ATOM 35 N LIG 1 -7.639 1.854 1.134 0.00 0.00 -0.302 N ATOM 36 C LIG 1 -9.032 2.263 1.096 0.00 0.00 +0.132 C ATOM 37 C LIG 1 -7.205 1.156 2.335 0.00 0.00 +0.132 C ATOM 38 O LIG 1 -7.180 2.904 -0.863 0.00 0.00 -0.268 OA ENDBRANCH 32 34 BRANCH 28 39 ATOM 39 O LIG 1 -3.635 -1.406 0.786 0.00 0.00 -0.474 OA BRANCH 39 41 ATOM 40 C LIG 1 -5.611 -2.821 0.761 0.00 0.00 +0.048 C ATOM 41 C LIG 1 -4.634 -2.019 1.604 0.00 0.00 +0.227 C ENDBRANCH 39 41 ENDBRANCH 28 39 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 7