REMARK Name = BDB037542 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.351 2.388 -0.701 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.498 1.363 -1.158 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.330 0.024 -0.868 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.550 -0.607 -1.225 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.415 0.299 -1.714 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.888 -0.515 -0.203 0.00 0.00 +0.084 C ATOM 7 C LIG 1 2.021 0.529 -0.294 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.683 1.433 -1.885 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.518 1.970 -0.026 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.166 2.718 0.716 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.869 -2.040 -1.072 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.156 -2.389 -0.690 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.201 -1.514 -0.244 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.169 -2.323 0.577 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.643 -3.736 0.626 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.412 -1.181 1.202 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.503 -3.792 -0.422 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.001 -2.898 -1.235 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.952 -4.475 -1.652 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.331 -5.023 -2.604 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 0.464 -0.911 1.210 0.00 0.00 -0.037 A ATOM 22 C LIG 1 -0.077 -0.006 2.143 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -0.445 -0.434 3.421 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -0.271 -1.764 3.779 0.00 0.00 +0.123 A ATOM 25 F LIG 1 -0.630 -2.171 5.003 0.00 0.00 -0.205 F ATOM 26 C LIG 1 0.269 -2.677 2.885 0.00 0.00 +0.038 A ATOM 27 C LIG 1 0.636 -2.252 1.608 0.00 0.00 +0.007 A ENDBRANCH 6 21 BRANCH 8 28 ATOM 28 C LIG 1 -2.138 2.410 -2.811 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -3.505 2.488 -3.118 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -3.962 3.431 -4.041 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -3.059 4.282 -4.676 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -1.696 4.182 -4.402 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -1.233 3.242 -3.479 0.00 0.00 +0.028 A ENDBRANCH 8 28 BRANCH 7 34 ATOM 34 N LIG 1 3.154 0.266 0.594 0.00 0.00 -0.298 N ATOM 35 H LIG 1 3.423 1.022 1.213 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 3.987 -0.816 0.408 0.00 0.00 +0.265 C ATOM 37 O LIG 1 3.773 -1.634 -0.484 0.00 0.00 -0.268 OA BRANCH 36 38 ATOM 38 C LIG 1 5.131 -0.902 1.341 0.00 0.00 +0.147 A ATOM 39 N LIG 1 6.120 -1.798 1.154 0.00 0.00 -0.160 NA ATOM 40 N LIG 1 6.982 -1.600 2.183 0.00 0.00 -0.178 N ATOM 41 C LIG 1 6.566 -0.601 3.026 0.00 0.00 +0.118 A ATOM 42 C LIG 1 5.380 -0.133 2.514 0.00 0.00 +0.054 A BRANCH 40 43 ATOM 43 C LIG 1 8.203 -2.409 2.330 0.00 0.00 +0.506 C ATOM 44 F LIG 1 7.923 -3.712 2.592 0.00 0.00 -0.149 F ATOM 45 F LIG 1 8.985 -2.370 1.219 0.00 0.00 -0.149 F ATOM 46 F LIG 1 8.975 -1.963 3.361 0.00 0.00 -0.149 F ENDBRANCH 40 43 ENDBRANCH 36 38 ENDBRANCH 7 34 BRANCH 1 48 ATOM 47 C LIG 1 0.791 4.832 -1.040 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.107 3.759 -0.437 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8