REMARK Name = BDB011573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.064 -2.041 0.090 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.230 -2.122 -0.402 0.00 0.00 -0.257 N ATOM 3 C LIG 1 -0.962 -1.100 -1.201 0.00 0.00 +0.172 C ATOM 4 C LIG 1 -2.195 -1.815 -1.793 0.00 0.00 +0.069 C ATOM 5 C LIG 1 -2.275 -3.040 -0.939 0.00 0.00 -0.024 A ATOM 6 C LIG 1 -3.298 -3.977 -0.911 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -3.149 -5.095 -0.092 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -1.984 -5.266 0.669 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.956 -4.318 0.625 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -1.115 -3.201 -0.178 0.00 0.00 +0.040 A ATOM 11 O LIG 1 1.513 -2.808 0.946 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 -1.456 0.078 -0.325 0.00 0.00 +0.239 C ATOM 13 N LIG 1 -1.973 1.117 -1.088 0.00 0.00 -0.279 N ATOM 14 H LIG 1 -1.503 1.294 -1.973 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -1.366 0.086 0.900 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 -2.717 2.212 -0.588 0.00 0.00 +0.105 A ATOM 17 C LIG 1 -3.512 2.178 0.560 0.00 0.00 +0.147 A ATOM 18 F LIG 1 -3.698 1.043 1.247 0.00 0.00 -0.203 F ATOM 19 C LIG 1 -4.209 3.311 0.986 0.00 0.00 +0.040 A ATOM 20 C LIG 1 -4.136 4.497 0.255 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -3.380 4.538 -0.914 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -2.690 3.399 -1.327 0.00 0.00 +0.147 A ATOM 23 F LIG 1 -1.978 3.453 -2.465 0.00 0.00 -0.203 F ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 24 ATOM 24 C LIG 1 1.952 -0.880 -0.427 0.00 0.00 +0.162 C BRANCH 24 26 ATOM 25 C LIG 1 1.446 1.470 0.229 0.00 0.00 +0.230 C ATOM 26 N LIG 1 1.898 0.205 0.545 0.00 0.00 -0.302 N ATOM 27 H LIG 1 2.013 -0.043 1.521 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 1.063 1.761 -0.904 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 1.491 2.461 1.416 0.00 0.00 +0.137 C ATOM 30 C LIG 1 0.382 3.501 1.270 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 3.907 2.318 1.827 0.00 0.00 +0.101 C ATOM 32 N LIG 1 2.788 3.176 1.467 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 2.719 3.929 2.151 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 3.423 -1.278 -0.718 0.00 0.00 +0.012 C ATOM 35 C LIG 1 4.246 -1.704 0.502 0.00 0.00 +0.009 C ATOM 36 C LIG 1 3.499 -2.354 -1.805 0.00 0.00 +0.009 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7