REMARK Name = BDB009935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.576 -2.154 0.452 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.207 -1.951 0.608 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.503 -2.712 1.527 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.823 -2.401 1.528 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 0.969 -1.436 0.642 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -1.052 -3.643 2.320 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.374 -3.748 2.149 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.259 -1.089 0.096 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -3.142 -3.058 1.273 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.242 -0.786 0.341 0.00 0.00 +0.018 A ATOM 11 C LIG 1 2.894 -0.048 1.330 0.00 0.00 +0.012 A ATOM 12 C LIG 1 4.102 0.604 1.056 0.00 0.00 +0.005 A ATOM 13 C LIG 1 4.701 0.525 -0.212 0.00 0.00 -0.042 A ATOM 14 C LIG 1 4.044 -0.248 -1.189 0.00 0.00 +0.005 A ATOM 15 C LIG 1 2.836 -0.899 -0.917 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 C LIG 1 6.029 1.229 -0.547 0.00 0.00 -0.013 C ATOM 17 C LIG 1 6.615 2.049 0.624 0.00 0.00 +0.015 C ATOM 18 C LIG 1 7.087 0.177 -0.945 0.00 0.00 +0.015 C ATOM 19 C LIG 1 5.814 2.205 -1.725 0.00 0.00 +0.015 C ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -3.346 -1.470 -0.479 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -2.902 -1.430 -1.387 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 -4.958 -3.083 -1.405 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -4.768 -1.806 -0.585 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 -5.437 -0.577 -1.162 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -5.250 -0.152 -2.601 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -6.601 -0.612 -2.124 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 27 ATOM 27 C LIG 1 -3.070 -4.759 3.022 0.00 0.00 +0.375 C ATOM 28 O LIG 1 -2.564 -5.473 3.871 0.00 0.00 -0.242 OA BRANCH 27 29 ATOM 29 O LIG 1 -4.403 -4.840 2.791 0.00 0.00 -0.475 OA ATOM 30 H LIG 1 -4.704 -5.522 3.426 0.00 0.00 +0.296 HD ENDBRANCH 27 29 ENDBRANCH 7 27 BRANCH 8 31 ATOM 31 C LIG 1 -0.489 0.047 -0.786 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 -0.617 1.345 -0.025 0.00 0.00 -0.028 A ATOM 33 C LIG 1 0.426 2.282 -0.037 0.00 0.00 +0.006 A ATOM 34 C LIG 1 0.316 3.480 0.673 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -0.845 3.774 1.401 0.00 0.00 +0.055 A ATOM 36 C LIG 1 -1.887 2.838 1.415 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -1.776 1.639 0.706 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 -0.950 5.059 2.185 0.00 0.00 +0.417 C ATOM 39 F LIG 1 -2.237 5.459 2.391 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.385 4.963 3.419 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.332 6.107 1.571 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 10