REMARK Name = BDB020444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.021 -2.081 0.840 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.698 -1.629 0.848 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.647 -1.943 1.335 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.425 -0.797 0.783 0.00 0.00 -0.269 N ATOM 5 C LIG 1 -0.594 0.216 0.056 0.00 0.00 +0.157 C ATOM 6 C LIG 1 -2.690 -0.580 1.274 0.00 0.00 +0.304 C ATOM 7 N LIG 1 -3.305 0.545 0.804 0.00 0.00 -0.291 N ATOM 8 H LIG 1 -3.178 0.700 -0.185 0.00 0.00 +0.151 HD ATOM 9 O LIG 1 -3.216 -1.334 2.089 0.00 0.00 -0.253 OA ATOM 10 C LIG 1 0.705 -0.457 0.159 0.00 0.00 +0.068 A ATOM 11 N LIG 1 1.960 -0.241 -0.267 0.00 0.00 -0.277 N ATOM 12 H LIG 1 2.341 0.518 -0.825 0.00 0.00 +0.189 HD ATOM 13 N LIG 1 2.789 -1.232 0.137 0.00 0.00 -0.158 NA ENDROOT BRANCH 5 14 ATOM 14 C LIG 1 -1.033 0.459 -1.372 0.00 0.00 -0.021 A ATOM 15 C LIG 1 -1.278 -0.600 -2.262 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -1.700 -0.348 -3.569 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -1.887 0.963 -4.000 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -1.642 2.024 -3.131 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -1.214 1.776 -1.827 0.00 0.00 +0.006 A ENDBRANCH 5 14 BRANCH 1 21 ATOM 20 C LIG 1 3.713 -3.774 1.500 0.00 0.00 +0.249 C ATOM 21 N LIG 1 2.450 -3.242 1.441 0.00 0.00 -0.265 N ATOM 22 H LIG 1 1.734 -3.869 1.776 0.00 0.00 +0.157 HD ATOM 23 O LIG 1 3.858 -4.955 1.822 0.00 0.00 -0.270 OA BRANCH 20 27 ATOM 24 C LIG 1 7.309 -1.547 0.792 0.00 0.00 +0.034 A ATOM 25 C LIG 1 7.079 -2.772 0.150 0.00 0.00 +0.024 A ATOM 26 C LIG 1 5.898 -3.486 0.375 0.00 0.00 +0.015 A ATOM 27 C LIG 1 4.926 -2.970 1.235 0.00 0.00 +0.037 A ATOM 28 C LIG 1 5.163 -1.769 1.908 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.344 -1.054 1.675 0.00 0.00 +0.024 A BRANCH 24 31 ATOM 30 C LIG 1 8.963 0.314 1.005 0.00 0.00 +0.241 C ATOM 31 N LIG 1 8.518 -0.885 0.497 0.00 0.00 -0.282 N ATOM 32 H LIG 1 9.138 -1.369 -0.138 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 8.428 1.015 1.855 0.00 0.00 -0.271 OA BRANCH 30 35 ATOM 34 C LIG 1 10.727 0.531 -0.777 0.00 0.00 +0.013 C ATOM 35 C LIG 1 10.286 0.747 0.470 0.00 0.00 +0.060 C ENDBRANCH 30 35 ENDBRANCH 24 31 ENDBRANCH 20 27 ENDBRANCH 1 21 BRANCH 7 36 ATOM 36 C LIG 1 -4.648 0.900 1.240 0.00 0.00 +0.119 C BRANCH 36 37 ATOM 37 C LIG 1 -4.857 2.400 1.062 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -5.062 3.212 2.190 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -5.244 4.590 2.054 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.220 5.176 0.791 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.011 4.387 -0.337 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.828 3.009 -0.203 0.00 0.00 +0.005 A ENDBRANCH 36 37 BRANCH 36 43 ATOM 43 C LIG 1 -5.763 0.036 0.565 0.00 0.00 +0.111 C BRANCH 43 44 ATOM 44 N LIG 1 -5.666 -0.052 -0.917 0.00 0.00 -0.306 NA ATOM 45 C LIG 1 -6.985 0.132 -1.527 0.00 0.00 +0.104 C ATOM 46 C LIG 1 -5.112 -1.341 -1.339 0.00 0.00 +0.104 C ENDBRANCH 43 44 ENDBRANCH 36 43 ENDBRANCH 7 36 TORSDOF 9