REMARK Name = BDB024647 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.632 -0.522 0.379 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.412 -1.175 0.120 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.433 -2.617 -0.202 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.388 -3.464 1.076 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.347 -2.996 -1.204 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.980 -2.642 -0.666 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.943 -1.228 -0.162 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.691 -0.578 -0.046 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.555 -1.068 -0.332 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.409 -0.090 -0.109 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.746 1.032 0.360 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.604 0.726 0.411 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.734 1.438 0.804 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.974 0.785 0.702 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.118 -0.527 0.220 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.800 0.675 0.582 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.313 2.317 0.766 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.034 2.236 2.124 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -3.136 3.291 2.276 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.771 4.616 1.603 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -2.543 4.435 0.092 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -2.172 3.000 -0.307 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -1.567 5.085 2.224 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -1.437 6.502 2.188 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.963 -0.781 0.621 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.694 -1.389 0.375 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.889 -0.193 -0.339 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.397 -1.649 -0.419 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.066 -2.335 -1.742 0.00 0.00 -0.032 A ATOM 30 C LIG 1 -2.104 -3.359 -1.777 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -1.784 -3.987 -2.981 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 -0.592 -5.229 -3.005 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -2.418 -3.613 -4.162 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -3.373 -2.597 -4.142 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -3.694 -1.959 -2.941 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -4.898 -1.683 -0.144 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -5.602 -0.696 0.019 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.410 -2.937 -0.079 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -4.753 -3.636 -0.270 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8