REMARK Name = BDB024184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.616 -3.040 0.211 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.361 -4.332 0.977 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.273 -5.395 0.861 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.091 -6.575 1.584 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.000 -6.707 2.439 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.092 -5.660 2.574 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.272 -4.478 1.852 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.851 -1.377 0.377 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -1.494 -1.099 1.111 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.315 -2.432 -0.389 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.809 -2.893 -1.407 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 2.336 1.222 -0.409 0.00 0.00 +0.049 A ATOM 13 C LIG 1 2.044 0.089 -1.177 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.040 -0.793 -0.944 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 0.246 -0.563 0.109 0.00 0.00 +0.125 A ATOM 16 C LIG 1 0.454 0.516 0.957 0.00 0.00 +0.045 A ATOM 17 C LIG 1 1.495 1.411 0.689 0.00 0.00 +0.028 A BRANCH 12 23 ATOM 18 C LIG 1 6.735 4.681 -1.481 0.00 0.00 +0.132 C ATOM 19 N LIG 1 5.690 3.775 -1.044 0.00 0.00 -0.302 N ATOM 20 C LIG 1 5.857 2.410 -1.273 0.00 0.00 +0.233 C ATOM 21 O LIG 1 6.923 1.946 -1.686 0.00 0.00 -0.274 OA ATOM 22 C LIG 1 4.696 1.459 -0.910 0.00 0.00 +0.201 C ATOM 23 N LIG 1 3.365 2.104 -0.760 0.00 0.00 -0.318 N ATOM 24 C LIG 1 3.413 3.421 -0.116 0.00 0.00 +0.124 C ATOM 25 C LIG 1 4.346 4.327 -0.918 0.00 0.00 +0.126 C ENDBRANCH 12 23 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -3.283 -2.039 1.107 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -3.548 -2.536 1.963 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.522 -1.501 0.516 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.374 -0.662 -0.770 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -3.519 0.581 -0.665 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -3.727 1.534 0.342 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -2.924 2.676 0.416 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -1.910 2.888 -0.523 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -1.718 1.961 -1.549 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -2.520 0.819 -1.620 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -1.050 4.029 -0.412 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -0.337 4.938 -0.290 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9