REMARK Name = BDB024636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.697 0.551 -0.362 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.474 1.249 -0.388 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.606 2.696 -0.642 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.190 3.418 0.584 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.307 3.349 -1.107 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.202 3.074 -0.111 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.063 1.592 0.089 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.804 1.056 0.444 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.369 1.720 0.694 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.272 0.799 0.952 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.707 -0.465 0.907 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.624 -0.314 0.568 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.668 -1.208 0.341 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.921 -0.667 0.011 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.166 0.713 -0.076 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.745 1.016 -0.808 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.401 -1.728 1.144 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.489 -2.606 -0.111 0.00 0.00 +0.031 C ATOM 19 C LIG 1 -2.433 -3.808 0.110 0.00 0.00 +0.016 C ATOM 20 C LIG 1 -2.382 -4.346 1.552 0.00 0.00 +0.006 C ATOM 21 C LIG 1 -1.071 -4.011 2.254 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -0.853 -2.500 2.360 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.144 -4.920 -0.907 0.00 0.00 +0.159 C BRANCH 23 24 ATOM 24 O LIG 1 -2.258 -4.421 -2.233 0.00 0.00 -0.395 OA ATOM 25 H LIG 1 -3.190 -4.188 -2.383 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 27 ATOM 26 C LIG 1 6.922 -1.326 0.342 0.00 0.00 +0.282 C ATOM 27 O LIG 1 5.662 -0.657 0.266 0.00 0.00 -0.453 OA ENDBRANCH 1 27 BRANCH 10 28 ATOM 28 C LIG 1 -2.710 1.102 1.253 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 -3.627 0.872 0.038 0.00 0.00 +0.135 C BRANCH 29 30 ATOM 30 C LIG 1 -3.460 1.907 -1.062 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -3.838 3.246 -0.874 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -3.674 4.182 -1.897 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.126 3.794 -3.118 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.739 2.471 -3.316 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.904 1.533 -2.295 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.061 0.799 0.522 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -5.575 1.464 1.407 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.792 -0.124 -0.141 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -6.697 -0.012 0.219 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 9