REMARK Name = BDB022748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.492 -2.410 -0.256 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -2.165 -1.198 -0.605 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -1.308 -0.598 -1.512 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.235 -1.423 -1.654 0.00 0.00 -0.266 N ATOM 5 N LIG 1 -0.327 -2.544 -0.914 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -3.424 -0.598 -0.178 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -4.280 -1.419 0.513 0.00 0.00 -0.306 N ATOM 8 H LIG 1 -4.094 -2.418 0.478 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -3.702 0.568 -0.441 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -5.629 -1.008 0.844 0.00 0.00 +0.161 C BRANCH 10 11 ATOM 11 C LIG 1 -5.723 0.009 1.967 0.00 0.00 +0.076 A ATOM 12 C LIG 1 -5.113 -0.184 3.210 0.00 0.00 +0.075 A ATOM 13 C LIG 1 -5.246 0.814 4.183 0.00 0.00 +0.022 A ATOM 14 C LIG 1 -5.981 1.962 3.902 0.00 0.00 +0.021 A ATOM 15 C LIG 1 -6.576 2.063 2.659 0.00 0.00 +0.111 A ATOM 16 N LIG 1 -6.477 1.113 1.703 0.00 0.00 -0.257 NA BRANCH 12 17 ATOM 17 C LIG 1 -4.386 -1.376 3.524 0.00 0.00 +0.101 C ATOM 18 N LIG 1 -3.818 -2.354 3.789 0.00 0.00 -0.191 NA ENDBRANCH 12 17 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 19 ATOM 19 C LIG 1 -1.887 -3.469 0.731 0.00 0.00 +0.217 C BRANCH 19 21 ATOM 20 C LIG 1 -3.516 -5.063 1.324 0.00 0.00 +0.194 C ATOM 21 O LIG 1 -3.231 -3.930 0.510 0.00 0.00 -0.377 OA ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 4 22 ATOM 22 C LIG 1 0.913 -1.211 -2.525 0.00 0.00 +0.178 C BRANCH 22 23 ATOM 23 C LIG 1 1.924 -0.286 -1.895 0.00 0.00 -0.026 A ATOM 24 C LIG 1 2.060 1.036 -2.339 0.00 0.00 +0.006 A ATOM 25 C LIG 1 2.992 1.890 -1.745 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.804 1.442 -0.695 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.666 0.121 -0.248 0.00 0.00 +0.006 A ATOM 28 C LIG 1 2.735 -0.734 -0.842 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 4.811 2.372 -0.056 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 N LIG 1 5.921 2.703 -0.948 0.00 0.00 -0.311 N ATOM 31 C LIG 1 5.946 3.963 -1.545 0.00 0.00 +0.252 A ATOM 32 O LIG 1 5.102 4.840 -1.380 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 7.098 4.233 -2.449 0.00 0.00 +0.070 A ATOM 34 C LIG 1 8.025 3.292 -2.664 0.00 0.00 +0.007 A ATOM 35 C LIG 1 7.921 2.007 -2.024 0.00 0.00 +0.018 A ATOM 36 C LIG 1 6.898 1.751 -1.201 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10