REMARK Name = BDB022394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.461 -1.737 -0.681 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.136 -1.266 -0.629 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.067 -1.990 -1.188 0.00 0.00 -0.018 A ATOM 4 C LIG 1 0.355 -3.213 -1.812 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.663 -3.694 -1.880 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.708 -2.961 -1.319 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.313 -1.480 -1.121 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -2.107 -1.376 -2.273 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -3.423 -0.896 -2.212 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -3.977 -0.505 -0.994 0.00 0.00 +0.034 A ATOM 11 C LIG 1 -3.195 -0.604 0.162 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -1.882 -1.085 0.099 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 N LIG 1 -5.291 -0.016 -0.845 0.00 0.00 -0.282 N ATOM 14 H LIG 1 -5.558 0.243 0.094 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 -6.221 0.201 -1.836 0.00 0.00 +0.241 C ATOM 16 O LIG 1 -6.077 0.071 -3.045 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 -7.523 0.718 -1.333 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -8.111 0.307 -0.197 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -9.453 0.802 0.266 0.00 0.00 +0.111 C BRANCH 19 20 ATOM 20 N LIG 1 -9.456 1.505 1.550 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 -9.097 0.658 2.682 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -8.675 2.737 1.529 0.00 0.00 +0.104 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 3.377 -0.666 1.419 0.00 0.00 +0.022 C ATOM 24 C LIG 1 3.624 -0.957 -0.065 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 3.930 0.350 -0.807 0.00 0.00 +0.225 C ATOM 26 N LIG 1 5.179 0.898 -0.821 0.00 0.00 -0.268 N ATOM 27 H LIG 1 5.218 1.761 -1.347 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 3.050 0.994 -1.393 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 6.359 0.474 -0.258 0.00 0.00 +0.147 A ATOM 30 N LIG 1 6.527 -0.627 0.475 0.00 0.00 -0.158 NA ATOM 31 N LIG 1 7.829 -0.623 0.802 0.00 0.00 -0.280 N ATOM 32 H LIG 1 8.193 -1.383 1.366 0.00 0.00 +0.189 HD ATOM 33 C LIG 1 8.500 0.452 0.308 0.00 0.00 +0.041 A ATOM 34 C LIG 1 7.578 1.186 -0.394 0.00 0.00 +0.068 A BRANCH 33 35 ATOM 35 C LIG 1 10.001 0.759 0.481 0.00 0.00 +0.037 C ATOM 36 C LIG 1 10.412 2.079 1.076 0.00 0.00 +0.010 C ATOM 37 C LIG 1 10.579 0.816 1.870 0.00 0.00 +0.010 C ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9