REMARK Name = BDB035288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.967 -1.158 -0.972 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -1.804 -1.702 -2.195 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -2.843 -1.835 -3.053 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.120 -1.427 -2.689 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.336 -0.868 -1.432 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.237 -0.739 -0.572 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.604 -0.788 1.189 0.00 0.00 +0.031 A ATOM 8 N LIG 1 2.900 -1.030 0.027 0.00 0.00 -0.353 N ATOM 9 H LIG 1 3.314 -1.157 -0.890 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.558 -0.994 0.288 0.00 0.00 +0.113 A ATOM 11 C LIG 1 1.401 -0.753 1.631 0.00 0.00 +0.010 A ATOM 12 C LIG 1 0.077 -0.675 2.154 0.00 0.00 -0.018 A ATOM 13 C LIG 1 -0.956 -0.802 1.290 0.00 0.00 +0.100 A ATOM 14 N LIG 1 -0.821 -1.034 -0.097 0.00 0.00 -0.266 N ATOM 15 C LIG 1 0.486 -1.155 -0.673 0.00 0.00 +0.281 A ATOM 16 O LIG 1 0.768 -1.339 -1.853 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 2.682 -0.618 2.208 0.00 0.00 +0.033 A BRANCH 12 18 ATOM 18 C LIG 1 -0.074 -0.421 3.600 0.00 0.00 +0.021 C ATOM 19 C LIG 1 0.361 -1.475 4.590 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -1.098 -1.186 4.407 0.00 0.00 +0.009 C ENDBRANCH 12 18 BRANCH 7 21 ATOM 21 C LIG 1 5.098 -0.756 1.200 0.00 0.00 +0.137 C BRANCH 21 25 ATOM 22 C LIG 1 9.452 0.565 0.296 0.00 0.00 +0.009 C ATOM 23 C LIG 1 7.968 0.906 0.422 0.00 0.00 +0.000 C ATOM 24 C LIG 1 7.087 -0.236 -0.101 0.00 0.00 +0.088 C ATOM 25 N LIG 1 5.641 0.000 0.061 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 5.291 1.431 0.147 0.00 0.00 +0.085 C ATOM 27 C LIG 1 6.182 2.296 -0.741 0.00 0.00 +0.016 C ATOM 28 C LIG 1 7.647 2.214 -0.316 0.00 0.00 +0.006 C ENDBRANCH 21 25 ENDBRANCH 7 21 ENDBRANCH 1 14 BRANCH 5 29 ATOM 29 C LIG 1 -5.682 -0.430 -1.026 0.00 0.00 -0.005 A ATOM 30 C LIG 1 -6.023 0.924 -0.816 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -7.314 1.298 -0.418 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -8.271 0.314 -0.218 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -9.504 0.664 0.168 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -7.970 -1.028 -0.411 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -6.684 -1.398 -0.815 0.00 0.00 +0.012 A BRANCH 30 36 ATOM 36 C LIG 1 -5.033 1.998 -1.040 0.00 0.00 +0.248 C ATOM 37 N LIG 1 -4.696 2.757 0.054 0.00 0.00 -0.286 N ATOM 38 C LIG 1 -4.798 2.481 1.478 0.00 0.00 +0.185 C ATOM 39 C LIG 1 -3.365 3.030 1.622 0.00 0.00 +0.280 C ATOM 40 F LIG 1 -2.411 2.084 1.806 0.00 0.00 -0.202 F ATOM 41 F LIG 1 -3.186 3.949 2.599 0.00 0.00 -0.202 F ATOM 42 C LIG 1 -3.498 3.579 0.191 0.00 0.00 +0.185 C ATOM 43 O LIG 1 -4.569 2.175 -2.159 0.00 0.00 -0.270 OA ENDBRANCH 30 36 ENDBRANCH 5 29 BRANCH 3 44 ATOM 44 C LIG 1 -2.583 -2.423 -4.419 0.00 0.00 +0.038 C ATOM 45 C LIG 1 -1.632 -3.588 -4.576 0.00 0.00 +0.010 C ATOM 46 C LIG 1 -3.104 -3.801 -4.761 0.00 0.00 +0.010 C ENDBRANCH 3 44 TORSDOF 7