REMARK Name = BDB016737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.791 1.047 -0.107 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.729 0.318 1.095 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.478 0.098 1.685 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.290 0.577 1.152 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.274 0.138 2.057 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.800 -0.557 3.078 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.345 1.317 -0.043 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.116 -0.576 2.817 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.723 -1.071 3.459 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.592 1.542 -0.648 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 -4.590 -1.738 -1.440 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -5.685 -1.240 -1.237 0.00 0.00 +0.228 C ATOM 13 C LIG 1 -6.021 0.233 -1.285 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.123 1.336 -0.762 0.00 0.00 +0.040 C ATOM 15 C LIG 1 -5.316 1.141 -2.252 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -7.506 0.275 -1.058 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -7.947 -1.043 -0.860 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -9.264 -1.375 -0.621 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -10.186 -0.329 -0.578 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -9.773 1.001 -0.774 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -8.429 1.309 -1.017 0.00 0.00 +0.006 A ATOM 22 N LIG 1 -6.862 -1.915 -0.957 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -6.907 -2.920 -0.893 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 1.127 0.407 1.904 0.00 0.00 +0.031 C ATOM 25 C LIG 1 2.084 -0.003 2.755 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 3.516 0.286 2.600 0.00 0.00 -0.025 A ATOM 27 C LIG 1 4.150 0.299 1.350 0.00 0.00 +0.012 A ATOM 28 C LIG 1 5.529 0.547 1.236 0.00 0.00 -0.033 A ATOM 29 C LIG 1 6.274 0.785 2.399 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.655 0.759 3.648 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.287 0.505 3.748 0.00 0.00 +0.008 A BRANCH 28 32 ATOM 32 C LIG 1 6.196 0.581 -0.124 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.948 -0.625 -0.931 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 6.433 -0.455 -2.317 0.00 0.00 +0.113 C ATOM 35 C LIG 1 7.964 -0.522 -2.460 0.00 0.00 +0.175 C ATOM 36 O LIG 1 8.489 -1.736 -1.913 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 8.112 -1.884 -0.538 0.00 0.00 +0.175 C ATOM 38 C LIG 1 6.584 -1.838 -0.366 0.00 0.00 +0.113 C ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5