REMARK Name = BDB023883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.159 -5.657 -2.713 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -2.159 -4.377 -2.047 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -1.363 -3.791 -2.254 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -3.334 -3.671 -1.952 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.215 -2.439 -1.319 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -2.188 -2.230 -0.276 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -2.126 -0.795 0.111 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -1.188 -0.086 0.904 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -1.505 1.218 0.970 0.00 0.00 -0.170 NA ATOM 10 N LIG 1 -2.625 1.343 0.226 0.00 0.00 -0.264 N ATOM 11 C LIG 1 -3.041 0.153 -0.290 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -4.201 -0.122 -1.171 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -4.455 -1.644 -1.198 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -4.394 -4.101 -2.399 0.00 0.00 -0.253 OA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 -0.008 -0.611 1.583 0.00 0.00 +0.006 A ATOM 16 C LIG 1 1.286 -0.128 1.307 0.00 0.00 -0.025 A ATOM 17 C LIG 1 1.563 0.966 0.305 0.00 0.00 +0.132 C ATOM 18 C LIG 1 2.922 0.866 -0.378 0.00 0.00 +0.224 C ATOM 19 N LIG 1 3.965 0.294 0.367 0.00 0.00 -0.264 N ATOM 20 C LIG 1 3.736 -0.023 1.776 0.00 0.00 +0.149 C ATOM 21 O LIG 1 3.039 1.322 -1.518 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 2.383 -0.633 2.022 0.00 0.00 -0.025 A ATOM 23 C LIG 1 2.195 -1.629 2.988 0.00 0.00 +0.005 A ATOM 24 C LIG 1 0.919 -2.126 3.242 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -0.177 -1.617 2.547 0.00 0.00 +0.010 A BRANCH 19 26 ATOM 26 C LIG 1 5.255 0.203 -0.195 0.00 0.00 +0.074 A ATOM 27 C LIG 1 6.408 -0.179 0.464 0.00 0.00 +0.131 A ATOM 28 N LIG 1 7.421 -0.133 -0.450 0.00 0.00 -0.273 N ATOM 29 C LIG 1 8.811 -0.445 -0.226 0.00 0.00 +0.172 C ATOM 30 N LIG 1 7.021 0.247 -1.671 0.00 0.00 -0.178 NA ATOM 31 C LIG 1 5.709 0.456 -1.518 0.00 0.00 +0.157 A ENDBRANCH 19 26 ENDBRANCH 8 15 BRANCH 10 32 ATOM 32 C LIG 1 -3.212 2.662 0.029 0.00 0.00 +0.112 C ATOM 33 C LIG 1 -3.486 3.380 1.351 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -4.158 4.725 1.095 0.00 0.00 +0.162 C ATOM 35 O LIG 1 -3.885 5.248 -0.207 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -2.542 5.011 -0.619 0.00 0.00 +0.162 C ATOM 37 C LIG 1 -2.348 3.527 -0.901 0.00 0.00 +0.055 C ENDBRANCH 10 32 TORSDOF 3