REMARK Name = BDB047767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 -0.712 -1.407 0.386 0.00 0.00 -0.050 S ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 8.004 0.692 -0.208 0.00 0.00 +0.138 C ATOM 3 N LIG 1 6.655 0.533 -0.725 0.00 0.00 -0.267 N ATOM 4 C LIG 1 5.661 -0.131 0.042 0.00 0.00 +0.097 A ATOM 5 C LIG 1 5.935 -0.779 1.240 0.00 0.00 +0.138 A ATOM 6 N LIG 1 5.011 -1.401 2.010 0.00 0.00 -0.253 NA ATOM 7 C LIG 1 3.731 -1.378 1.607 0.00 0.00 +0.075 A ATOM 8 C LIG 1 3.324 -0.749 0.415 0.00 0.00 +0.045 A ATOM 9 C LIG 1 1.955 -0.761 0.059 0.00 0.00 +0.029 A ATOM 10 C LIG 1 1.002 -1.382 0.870 0.00 0.00 +0.016 A ATOM 11 C LIG 1 1.420 -2.010 2.040 0.00 0.00 +0.017 A ATOM 12 C LIG 1 2.772 -1.998 2.396 0.00 0.00 +0.029 A ATOM 13 C LIG 1 4.326 -0.133 -0.370 0.00 0.00 +0.153 A ATOM 14 O LIG 1 3.911 0.507 -1.512 0.00 0.00 -0.480 OA ATOM 15 C LIG 1 4.937 0.706 -2.464 0.00 0.00 +0.325 C ATOM 16 C LIG 1 6.337 1.051 -1.972 0.00 0.00 +0.257 C ATOM 17 O LIG 1 7.127 1.675 -2.680 0.00 0.00 -0.272 OA ENDBRANCH 1 10 BRANCH 1 18 ATOM 18 C LIG 1 -1.286 -0.036 1.280 0.00 0.00 +0.201 A ATOM 19 N LIG 1 -2.570 0.449 1.159 0.00 0.00 -0.274 N ATOM 20 C LIG 1 -2.615 1.525 2.034 0.00 0.00 +0.197 A ATOM 21 C LIG 1 -3.839 2.228 2.113 0.00 0.00 +0.168 A ATOM 22 C LIG 1 -4.894 1.852 1.371 0.00 0.00 +0.052 A ATOM 23 C LIG 1 -4.838 0.706 0.451 0.00 0.00 +0.004 A ATOM 24 F LIG 1 -3.931 3.288 2.940 0.00 0.00 -0.202 F ATOM 25 N LIG 1 -1.450 1.665 2.629 0.00 0.00 -0.126 NA ATOM 26 C LIG 1 -3.659 0.046 0.381 0.00 0.00 +0.104 A ATOM 27 N LIG 1 -0.614 0.681 2.153 0.00 0.00 -0.121 NA BRANCH 23 28 ATOM 28 C LIG 1 -5.986 0.328 -0.321 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -5.990 -0.375 -1.509 0.00 0.00 +0.116 A ATOM 30 N LIG 1 -7.300 -0.496 -1.877 0.00 0.00 -0.274 N ATOM 31 C LIG 1 -7.816 -1.148 -3.056 0.00 0.00 +0.172 C ATOM 32 N LIG 1 -8.153 0.075 -1.010 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 -7.354 0.576 -0.064 0.00 0.00 +0.143 A ENDBRANCH 23 28 ENDBRANCH 1 18 TORSDOF 3