REMARK Name = BDB043024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.457 0.485 -1.215 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.354 1.559 -0.284 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -0.499 1.462 0.827 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -0.380 2.643 1.537 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.545 3.398 0.793 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.268 0.361 1.070 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.197 -0.626 0.212 0.00 0.00 +0.124 A ATOM 8 N LIG 1 0.997 2.768 -0.287 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.306 -0.602 -0.991 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -1.089 3.021 2.802 0.00 0.00 +0.018 C ATOM 11 C LIG 1 -0.105 3.359 3.924 0.00 0.00 +0.012 C ATOM 12 C LIG 1 -2.061 4.179 2.576 0.00 0.00 +0.012 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 1.308 0.540 -2.334 0.00 0.00 -0.323 N ATOM 14 H LIG 1 1.453 -0.382 -2.742 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 2.567 1.289 -2.397 0.00 0.00 +0.160 C BRANCH 15 21 ATOM 16 C LIG 1 5.810 1.483 2.195 0.00 0.00 +0.064 C ATOM 17 C LIG 1 5.955 0.374 1.198 0.00 0.00 +0.022 A ATOM 18 N LIG 1 5.139 0.360 0.053 0.00 0.00 -0.304 N ATOM 19 C LIG 1 5.194 -0.635 -0.923 0.00 0.00 +0.138 A ATOM 20 N LIG 1 4.320 -0.424 -1.885 0.00 0.00 -0.231 NA ATOM 21 C LIG 1 3.674 0.747 -1.544 0.00 0.00 +0.077 A ATOM 22 C LIG 1 6.139 -1.681 -0.737 0.00 0.00 +0.047 A ATOM 23 C LIG 1 6.930 -1.681 0.352 0.00 0.00 +0.005 A ATOM 24 C LIG 1 4.168 1.241 -0.355 0.00 0.00 +0.117 A ATOM 25 C LIG 1 6.843 -0.630 1.354 0.00 0.00 +0.021 A ENDBRANCH 15 21 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 26 ATOM 26 N LIG 1 -2.001 -1.698 0.506 0.00 0.00 -0.329 N ATOM 27 H LIG 1 -2.576 -1.516 1.323 0.00 0.00 +0.147 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.513 -2.687 -0.419 0.00 0.00 +0.109 C BRANCH 28 29 ATOM 29 C LIG 1 -3.505 -2.086 -1.432 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -4.757 -1.489 -0.765 0.00 0.00 +0.133 C ATOM 31 C LIG 1 -5.691 -2.587 -0.225 0.00 0.00 +0.112 C ATOM 32 N LIG 1 -6.085 -3.533 -1.280 0.00 0.00 -0.314 NA ATOM 33 H LIG 1 -6.541 -2.985 -2.016 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 -4.910 -4.175 -1.878 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -3.931 -3.153 -2.462 0.00 0.00 +0.023 C BRANCH 30 36 ATOM 36 O LIG 1 -5.468 -0.725 -1.753 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 -6.197 -0.270 -1.297 0.00 0.00 +0.210 HD ENDBRANCH 30 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 26 TORSDOF 8