REMARK Name = BDB051386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.655 -1.732 0.069 0.00 0.00 -0.293 N ATOM 2 C LIG 1 -0.974 -0.693 0.963 0.00 0.00 +0.247 C ATOM 3 O LIG 1 -0.129 -0.042 1.580 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.388 -0.328 1.188 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -3.206 0.058 0.118 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -4.544 0.428 0.347 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -5.048 0.412 1.672 0.00 0.00 +0.127 A ATOM 8 C LIG 1 -4.207 0.040 2.735 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -2.880 -0.323 2.494 0.00 0.00 +0.016 A BRANCH 7 10 ATOM 10 O LIG 1 -6.364 0.779 1.826 0.00 0.00 -0.495 OA ATOM 11 C LIG 1 -6.907 0.759 3.142 0.00 0.00 +0.277 C ENDBRANCH 7 10 BRANCH 6 12 ATOM 12 C LIG 1 -5.430 0.765 -0.788 0.00 0.00 +0.007 C ATOM 13 C LIG 1 -5.049 1.440 -1.885 0.00 0.00 -0.024 C BRANCH 13 14 ATOM 14 C LIG 1 -5.900 1.797 -3.079 0.00 0.00 +0.055 C BRANCH 14 15 ATOM 15 C LIG 1 -7.369 1.340 -3.098 0.00 0.00 +0.163 C BRANCH 15 16 ATOM 16 O LIG 1 -8.181 1.913 -2.077 0.00 0.00 -0.383 OA ATOM 17 C LIG 1 -8.429 3.298 -2.250 0.00 0.00 +0.193 C ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 6 12 ENDBRANCH 2 4 BRANCH 1 18 ATOM 18 C LIG 1 -1.615 -2.799 -0.297 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -1.593 -3.095 -1.799 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -1.389 -4.066 0.532 0.00 0.00 +0.028 C ENDBRANCH 1 18 BRANCH 1 21 ATOM 21 C LIG 1 0.783 -2.003 -0.099 0.00 0.00 +0.129 C BRANCH 21 22 ATOM 22 C LIG 1 1.593 -0.857 -0.773 0.00 0.00 +0.097 C BRANCH 22 23 ATOM 23 N LIG 1 0.964 -0.419 -2.044 0.00 0.00 -0.324 NA ATOM 24 H LIG 1 0.506 -1.219 -2.487 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 1.678 -0.090 -2.707 0.00 0.00 +0.119 HD ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C LIG 1 3.064 -1.287 -1.046 0.00 0.00 +0.133 C BRANCH 26 27 ATOM 27 O LIG 1 3.787 -0.220 -1.686 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 3.307 0.604 -1.507 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 3.858 -1.727 0.190 0.00 0.00 +0.045 C BRANCH 29 30 ATOM 30 C LIG 1 4.178 -0.571 1.162 0.00 0.00 +0.074 C ATOM 31 C LIG 1 3.502 -0.773 2.520 0.00 0.00 +0.017 C BRANCH 30 34 ATOM 32 N LIG 1 6.331 -0.045 0.169 0.00 0.00 -0.315 N ATOM 33 H LIG 1 5.794 0.079 -0.685 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 5.689 -0.433 1.325 0.00 0.00 +0.216 C ATOM 35 O LIG 1 6.269 -0.656 2.382 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 C LIG 1 7.770 0.077 0.108 0.00 0.00 +0.104 C BRANCH 36 37 ATOM 37 C LIG 1 8.301 1.361 0.751 0.00 0.00 +0.018 C BRANCH 37 39 ATOM 38 C LIG 1 8.495 3.864 0.608 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.884 2.620 -0.016 0.00 0.00 -0.002 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 18