REMARK Name = BDB034485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.245 2.020 0.930 0.00 0.00 -0.282 N ATOM 2 C LIG 1 1.131 2.242 0.978 0.00 0.00 +0.248 C ATOM 3 O LIG 1 1.647 3.355 0.904 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.046 1.098 1.164 0.00 0.00 +0.038 A ATOM 5 C LIG 1 2.162 0.121 0.173 0.00 0.00 +0.025 A ATOM 6 C LIG 1 3.027 -0.954 0.375 0.00 0.00 +0.027 A ATOM 7 C LIG 1 3.804 -1.044 1.554 0.00 0.00 +0.077 A ATOM 8 N LIG 1 4.692 -2.124 1.797 0.00 0.00 -0.216 NA ATOM 9 C LIG 1 4.816 -3.070 0.905 0.00 0.00 +0.199 A ATOM 10 N LIG 1 4.079 -3.031 -0.294 0.00 0.00 -0.271 N ATOM 11 C LIG 1 4.069 -3.894 -1.357 0.00 0.00 +0.206 A ATOM 12 N LIG 1 3.205 -3.526 -2.280 0.00 0.00 -0.243 NA ATOM 13 C LIG 1 2.656 -2.356 -1.812 0.00 0.00 +0.139 A ATOM 14 C LIG 1 3.698 -0.037 2.517 0.00 0.00 +0.029 A ATOM 15 C LIG 1 3.187 -2.024 -0.587 0.00 0.00 +0.078 A ATOM 16 C LIG 1 2.826 1.037 2.324 0.00 0.00 +0.015 A BRANCH 9 17 ATOM 17 N LIG 1 5.666 -4.118 1.150 0.00 0.00 -0.328 N ATOM 18 H LIG 1 5.346 -5.037 0.868 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 5.985 -4.110 2.115 0.00 0.00 +0.145 HD ENDBRANCH 9 17 ENDBRANCH 2 4 BRANCH 1 21 ATOM 20 C LIG 1 -1.337 3.967 2.025 0.00 0.00 +0.036 C ATOM 21 C LIG 1 -1.104 3.212 0.707 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 C LIG 1 -2.434 2.954 -0.004 0.00 0.00 +0.149 A ATOM 23 N LIG 1 -2.508 3.252 -1.319 0.00 0.00 -0.238 NA ATOM 24 C LIG 1 -3.677 3.000 -1.934 0.00 0.00 +0.114 A ATOM 25 C LIG 1 -4.775 2.480 -1.294 0.00 0.00 +0.039 A ATOM 26 C LIG 1 -4.612 2.222 0.045 0.00 0.00 +0.114 A ATOM 27 N LIG 1 -3.463 2.442 0.713 0.00 0.00 -0.238 NA ENDBRANCH 21 22 ENDBRANCH 1 21 BRANCH 1 28 ATOM 28 C LIG 1 -0.878 0.758 1.349 0.00 0.00 +0.164 C BRANCH 28 29 ATOM 29 C LIG 1 -1.465 -0.079 0.224 0.00 0.00 +0.059 A ATOM 30 N LIG 1 -0.901 -0.009 -1.009 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -1.452 -0.743 -2.002 0.00 0.00 +0.123 A ATOM 32 C LIG 1 -2.533 -1.591 -1.828 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -3.083 -1.677 -0.548 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -2.542 -0.921 0.490 0.00 0.00 +0.025 A BRANCH 32 35 ATOM 35 C LIG 1 -3.103 -2.337 -2.993 0.00 0.00 +0.419 C ATOM 36 F LIG 1 -3.646 -3.536 -2.643 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -2.186 -2.611 -3.961 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -4.101 -1.644 -3.609 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 7