REMARK Name = BDB009762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.984 -2.046 -0.346 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -1.071 -1.194 0.258 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.191 -1.730 0.088 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.036 -2.911 -0.596 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.922 -3.782 -0.940 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.136 -3.397 -0.528 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.452 -2.265 0.145 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.486 -1.380 0.458 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.360 -3.089 -0.862 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -6.481 -3.953 0.657 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.640 -2.814 0.161 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -4.243 -2.928 0.135 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -3.441 -1.885 -0.352 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -4.059 -0.736 -0.859 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -5.451 -0.620 -0.850 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.237 -1.654 -0.342 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 C LIG 1 3.269 -4.332 -0.864 0.00 0.00 +0.375 C ATOM 18 O LIG 1 3.192 -5.402 -1.445 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 4.479 -3.881 -0.453 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 5.095 -4.587 -0.737 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N LIG 1 1.796 -0.202 1.126 0.00 0.00 -0.324 N ATOM 22 H LIG 1 1.231 0.579 0.815 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.212 0.157 1.278 0.00 0.00 +0.072 C ATOM 24 C LIG 1 3.302 1.135 2.451 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C LIG 1 3.773 0.740 -0.026 0.00 0.00 +0.009 C ATOM 26 C LIG 1 3.205 2.066 -0.611 0.00 0.00 +0.005 C ATOM 27 C LIG 1 4.615 2.331 -1.178 0.00 0.00 +0.001 C ATOM 28 C LIG 1 5.164 1.437 -0.045 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 29 ATOM 29 C LIG 1 -1.401 -0.041 1.085 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 -1.085 1.299 0.451 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -0.940 1.490 -0.932 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -0.645 2.754 -1.452 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -0.495 3.859 -0.606 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -0.649 3.675 0.774 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -0.947 2.413 1.294 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -0.159 5.226 -1.153 0.00 0.00 +0.417 C ATOM 37 F LIG 1 1.080 5.644 -0.771 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.026 6.186 -0.727 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.172 5.287 -2.513 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9