REMARK Name = BDB048315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.934 -0.560 0.412 0.00 0.00 -0.010 A ATOM 2 C LIG 1 0.120 0.081 1.355 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -1.151 -0.417 1.649 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.640 -1.561 1.002 0.00 0.00 -0.033 A ATOM 5 C LIG 1 -0.826 -2.203 0.061 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.447 -1.706 -0.233 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.301 -0.015 0.073 0.00 0.00 +0.264 C BRANCH 7 8 ATOM 8 O LIG 1 3.272 -1.036 0.306 0.00 0.00 -0.487 OA BRANCH 8 12 ATOM 9 C LIG 1 7.330 -0.393 -0.501 0.00 0.00 -0.032 A ATOM 10 C LIG 1 6.417 0.651 -0.720 0.00 0.00 +0.008 A ATOM 11 C LIG 1 5.051 0.480 -0.467 0.00 0.00 +0.046 A ATOM 12 C LIG 1 4.572 -0.737 0.013 0.00 0.00 +0.121 A ATOM 13 C LIG 1 5.473 -1.780 0.235 0.00 0.00 +0.046 A ATOM 14 C LIG 1 6.837 -1.613 -0.016 0.00 0.00 +0.008 A BRANCH 9 15 ATOM 15 C LIG 1 8.829 -0.223 -0.711 0.00 0.00 +0.104 C BRANCH 15 18 ATOM 16 C LIG 1 9.847 2.293 -3.840 0.00 0.00 +0.106 C ATOM 17 C LIG 1 9.480 1.394 -2.745 0.00 0.00 -0.105 C ATOM 18 C LIG 1 9.182 0.667 -1.836 0.00 0.00 -0.094 C ENDBRANCH 15 18 BRANCH 15 19 ATOM 19 C LIG 1 9.544 0.174 0.584 0.00 0.00 +0.141 C BRANCH 19 20 ATOM 20 C LIG 1 9.212 1.561 1.075 0.00 0.00 +0.306 C ATOM 21 O LIG 1 9.902 2.545 0.853 0.00 0.00 -0.251 OA BRANCH 20 22 ATOM 22 O LIG 1 8.089 1.630 1.823 0.00 0.00 -0.481 OA ATOM 23 H LIG 1 7.592 0.791 1.888 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 9 15 ENDBRANCH 8 12 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 C LIG 1 -3.012 -2.108 1.338 0.00 0.00 +0.119 C BRANCH 24 25 ATOM 25 N LIG 1 -4.096 -1.121 1.172 0.00 0.00 -0.298 NA ATOM 26 C LIG 1 -5.332 -1.626 1.787 0.00 0.00 +0.086 C ATOM 27 C LIG 1 -6.456 -0.592 1.706 0.00 0.00 +0.031 C ATOM 28 C LIG 1 -6.716 -0.138 0.261 0.00 0.00 +0.017 C ATOM 29 C LIG 1 -7.743 0.976 0.203 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -8.862 0.551 -0.527 0.00 0.00 -0.021 A ATOM 31 C LIG 1 -9.948 1.386 -0.727 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -9.903 2.671 -0.181 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -8.784 3.101 0.550 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.657 -0.811 -0.981 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -7.692 2.251 0.747 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.453 -1.212 -0.545 0.00 0.00 -0.015 C ATOM 37 C LIG 1 -5.397 0.271 -0.411 0.00 0.00 +0.031 C ATOM 38 C LIG 1 -4.312 -0.795 -0.247 0.00 0.00 +0.086 C ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 10