REMARK Name = BDB011878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.639 -1.443 0.730 0.00 0.00 +0.180 C ATOM 2 C LIG 1 2.185 -0.259 -0.090 0.00 0.00 +0.108 C ATOM 3 C LIG 1 3.599 0.109 0.395 0.00 0.00 +0.031 C ATOM 4 N LIG 1 1.325 0.944 -0.090 0.00 0.00 -0.265 N ATOM 5 C LIG 1 1.448 1.851 -1.149 0.00 0.00 +0.222 C ATOM 6 O LIG 1 2.292 1.699 -2.036 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 0.590 1.212 1.096 0.00 0.00 +0.058 A ATOM 8 C LIG 1 -0.450 0.352 1.511 0.00 0.00 +0.058 A ATOM 9 C LIG 1 -1.184 0.691 2.656 0.00 0.00 +0.025 A ATOM 10 C LIG 1 -0.882 1.841 3.390 0.00 0.00 +0.002 A ATOM 11 C LIG 1 0.158 2.671 2.989 0.00 0.00 +0.002 A ATOM 12 N LIG 1 -0.787 -0.821 0.764 0.00 0.00 -0.264 N ATOM 13 C LIG 1 0.892 2.358 1.847 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.183 -1.716 0.309 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -0.096 -2.698 -0.390 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 2.536 -3.633 1.473 0.00 0.00 +0.230 C ATOM 17 N LIG 1 2.412 -2.665 0.497 0.00 0.00 -0.301 N ATOM 18 H LIG 1 2.428 -3.048 -0.448 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 2.239 -3.437 2.648 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 3.017 -5.003 0.927 0.00 0.00 +0.137 C ATOM 21 C LIG 1 3.801 -5.746 2.006 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 3.988 -6.013 -1.078 0.00 0.00 +0.101 C ATOM 23 N LIG 1 3.803 -4.788 -0.314 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 4.713 -4.399 -0.062 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 0.482 3.026 -1.190 0.00 0.00 +0.124 C BRANCH 25 26 ATOM 26 C LIG 1 0.498 3.705 -2.556 0.00 0.00 +0.168 C BRANCH 26 27 ATOM 27 O LIG 1 -0.536 4.689 -2.671 0.00 0.00 -0.382 OA ATOM 28 C LIG 1 -0.223 5.909 -2.016 0.00 0.00 +0.194 C ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 BRANCH 12 29 ATOM 29 C LIG 1 -2.205 -1.143 0.523 0.00 0.00 +0.153 C BRANCH 29 30 ATOM 30 C LIG 1 -2.999 -0.013 -0.128 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -2.705 0.417 -1.463 0.00 0.00 -0.010 A ATOM 32 C LIG 1 -3.406 1.527 -1.994 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -3.126 1.997 -3.289 0.00 0.00 +0.008 A ATOM 34 C LIG 1 -2.171 1.375 -4.087 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -1.486 0.273 -3.600 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.389 2.161 -1.229 0.00 0.00 +0.012 A ATOM 37 C LIG 1 -4.709 1.707 0.048 0.00 0.00 +0.046 A ATOM 38 C LIG 1 -1.753 -0.198 -2.312 0.00 0.00 +0.009 A ATOM 39 C LIG 1 -4.030 0.623 0.603 0.00 0.00 +0.125 A BRANCH 39 40 ATOM 40 O LIG 1 -4.302 0.111 1.847 0.00 0.00 -0.495 OA ATOM 41 C LIG 1 -5.341 0.720 2.604 0.00 0.00 +0.277 C ENDBRANCH 39 40 ENDBRANCH 29 30 ENDBRANCH 12 29 TORSDOF 9