REMARK Name = BDB007764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.085 -2.060 -1.104 0.00 0.00 +0.244 C ATOM 2 N LIG 1 1.047 -2.846 -1.058 0.00 0.00 -0.309 N ATOM 3 H LIG 1 0.936 -3.815 -0.788 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.124 -0.977 -1.677 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.681 -2.708 -0.306 0.00 0.00 +0.119 A ATOM 6 N LIG 1 -3.612 -3.515 0.771 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 -2.393 -3.836 1.255 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -1.208 -3.402 0.699 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -1.293 -2.593 -0.429 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -2.543 -2.237 -0.937 0.00 0.00 +0.056 A BRANCH 5 11 ATOM 11 N LIG 1 -4.963 -2.426 -0.744 0.00 0.00 -0.329 N ATOM 12 H LIG 1 -5.596 -2.872 -0.083 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 C LIG 1 -5.330 -1.052 -1.071 0.00 0.00 +0.106 C BRANCH 13 18 ATOM 14 C LIG 1 -6.213 3.140 2.781 0.00 0.00 +0.104 C ATOM 15 N LIG 1 -5.815 2.250 1.691 0.00 0.00 -0.305 NA ATOM 16 C LIG 1 -6.979 1.877 0.880 0.00 0.00 +0.084 C ATOM 17 C LIG 1 -6.561 1.002 -0.301 0.00 0.00 +0.020 C ATOM 18 C LIG 1 -5.812 -0.260 0.159 0.00 0.00 +0.008 C ATOM 19 C LIG 1 -4.660 0.148 1.090 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -5.140 1.059 2.221 0.00 0.00 +0.084 C ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 21 ATOM 21 C LIG 1 2.256 -2.509 -1.808 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 2.970 -1.237 -1.291 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 2.362 -0.075 -1.867 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 1.389 -0.193 -1.799 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 4.467 -1.272 -1.692 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 5.399 -0.330 -1.046 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 5.066 1.081 -1.310 0.00 0.00 +0.120 C ATOM 28 C LIG 1 6.050 2.041 -0.666 0.00 0.00 -0.030 A ATOM 29 C LIG 1 6.830 1.642 0.436 0.00 0.00 -0.042 A ATOM 30 C LIG 1 7.708 2.555 1.035 0.00 0.00 +0.004 A ATOM 31 C LIG 1 7.791 3.865 0.563 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.002 4.271 -0.512 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.767 0.216 0.925 0.00 0.00 +0.051 C ATOM 34 C LIG 1 6.133 3.365 -1.122 0.00 0.00 +0.005 A ATOM 35 C LIG 1 5.539 -0.543 0.398 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9