REMARK Name = BDB052457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.088 -1.220 -0.651 0.00 0.00 +0.193 C ATOM 2 C LIG 1 -0.351 -2.758 -1.087 0.00 0.00 +0.027 C ENDROOT BRANCH 1 3 ATOM 3 N LIG 1 1.317 -0.881 -1.035 0.00 0.00 -0.203 NA ATOM 4 C LIG 1 1.488 -0.331 -2.269 0.00 0.00 +0.255 C ATOM 5 O LIG 1 0.610 -0.126 -3.109 0.00 0.00 -0.272 OA BRANCH 4 6 ATOM 6 C LIG 1 2.996 0.145 -2.498 0.00 0.00 +0.193 C BRANCH 6 7 ATOM 7 N LIG 1 3.403 0.107 -3.937 0.00 0.00 -0.203 NA ATOM 8 C LIG 1 4.736 0.030 -4.171 0.00 0.00 +0.255 C ATOM 9 O LIG 1 5.637 0.462 -3.444 0.00 0.00 -0.272 OA BRANCH 8 10 ATOM 10 C LIG 1 5.040 -0.755 -5.501 0.00 0.00 +0.192 C ATOM 11 C LIG 1 6.406 -1.624 -5.505 0.00 0.00 +0.027 C BRANCH 10 12 ATOM 12 N LIG 1 4.938 -0.044 -6.787 0.00 0.00 -0.204 NA ATOM 13 C LIG 1 5.773 0.958 -6.977 0.00 0.00 +0.242 C ATOM 14 O LIG 1 6.698 1.474 -6.372 0.00 0.00 -0.273 OA ATOM 15 C LIG 1 5.690 1.657 -8.380 0.00 0.00 +0.096 C ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 6 7 BRANCH 6 16 ATOM 16 C LIG 1 3.086 1.537 -1.984 0.00 0.00 +0.027 C BRANCH 16 17 ATOM 17 C LIG 1 3.040 2.921 -1.303 0.00 0.00 +0.028 C BRANCH 17 18 ATOM 18 C LIG 1 2.851 4.217 -0.487 0.00 0.00 +0.129 C BRANCH 18 19 ATOM 19 N LIG 1 2.613 5.274 0.309 0.00 0.00 -0.234 NA ATOM 20 C LIG 1 1.554 5.210 1.056 0.00 0.00 +0.284 C ATOM 21 N LIG 1 1.284 6.358 1.917 0.00 0.00 -0.104 NA ATOM 22 N LIG 1 0.599 4.104 1.071 0.00 0.00 -0.104 NA ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 6 16 ENDBRANCH 4 6 ENDBRANCH 1 3 BRANCH 1 24 ATOM 23 N LIG 1 -1.538 -0.499 1.259 0.00 0.00 -0.203 NA ATOM 24 C LIG 1 -0.343 -1.083 0.962 0.00 0.00 +0.255 C ATOM 25 O LIG 1 0.471 -1.504 1.802 0.00 0.00 -0.272 OA BRANCH 23 26 ATOM 26 C LIG 1 -2.137 -0.850 2.583 0.00 0.00 +0.193 C BRANCH 26 28 ATOM 27 N LIG 1 -3.836 -2.505 3.148 0.00 0.00 -0.203 NA ATOM 28 C LIG 1 -3.603 -1.416 2.379 0.00 0.00 +0.255 C ATOM 29 O LIG 1 -4.462 -0.875 1.674 0.00 0.00 -0.272 OA BRANCH 27 30 ATOM 30 C LIG 1 -5.141 -3.124 2.856 0.00 0.00 +0.194 C BRANCH 30 32 ATOM 31 C LIG 1 -5.309 -4.731 5.115 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -5.266 -4.462 3.542 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -5.672 -5.811 2.796 0.00 0.00 +0.002 C ENDBRANCH 30 32 BRANCH 30 34 ATOM 34 C LIG 1 -6.362 -2.388 3.333 0.00 0.00 +0.275 C ATOM 35 O LIG 1 -7.520 -2.727 3.062 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -6.265 -1.250 4.252 0.00 0.00 -0.087 NA ENDBRANCH 30 34 ENDBRANCH 27 30 ENDBRANCH 26 28 BRANCH 26 37 ATOM 37 C LIG 1 -2.229 0.343 3.506 0.00 0.00 +0.037 C BRANCH 37 38 ATOM 38 C LIG 1 -2.398 1.501 4.590 0.00 0.00 +0.116 C BRANCH 38 39 ATOM 39 C LIG 1 -2.603 2.590 5.705 0.00 0.00 +0.365 C ATOM 40 O LIG 1 -2.939 3.767 5.345 0.00 0.00 -0.246 OA ATOM 41 O LIG 1 -2.439 2.235 6.918 0.00 0.00 -0.246 OA ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 26 37 ENDBRANCH 23 26 ENDBRANCH 1 24 TORSDOF 18