REMARK Name = BDB039304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.854 0.061 1.108 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.024 0.151 2.216 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.321 0.023 3.387 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.676 0.437 1.713 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.723 0.436 0.321 0.00 0.00 -0.017 A ATOM 6 C LIG 1 0.575 0.671 -0.417 0.00 0.00 +0.016 A ATOM 7 C LIG 1 -0.625 0.915 0.275 0.00 0.00 -0.001 A ATOM 8 C LIG 1 -0.650 0.909 1.688 0.00 0.00 +0.011 A ATOM 9 C LIG 1 0.513 0.666 2.423 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.110 0.136 -0.143 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.608 -2.327 -0.192 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.641 -1.763 0.309 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.548 -2.474 0.733 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.581 -3.462 0.517 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.279 -1.967 0.903 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.299 -2.701 0.801 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.212 -0.460 1.205 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.186 0.272 0.287 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.591 -0.266 0.510 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -1.864 1.163 -0.477 0.00 0.00 +0.055 A ATOM 21 N LIG 1 -2.134 2.388 -1.105 0.00 0.00 -0.299 N ATOM 22 C LIG 1 -3.286 2.627 -1.841 0.00 0.00 +0.066 A ATOM 23 C LIG 1 -3.170 3.919 -2.299 0.00 0.00 +0.138 A ATOM 24 N LIG 1 -1.995 4.485 -1.873 0.00 0.00 -0.243 NA ATOM 25 C LIG 1 -4.243 1.584 -1.948 0.00 0.00 +0.032 A ATOM 26 C LIG 1 -4.021 0.398 -1.335 0.00 0.00 -0.029 A ATOM 27 C LIG 1 -1.405 3.553 -1.155 0.00 0.00 +0.204 A ATOM 28 C LIG 1 -2.778 0.174 -0.588 0.00 0.00 +0.031 A BRANCH 26 29 ATOM 29 C LIG 1 -5.004 -0.750 -1.438 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 -5.880 -0.836 -0.265 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 -6.864 -1.940 -0.434 0.00 0.00 +0.086 C ATOM 32 C LIG 1 -6.640 -2.272 1.052 0.00 0.00 +0.031 C ATOM 33 C LIG 1 -5.260 -1.621 0.837 0.00 0.00 +0.086 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 7 20 TORSDOF 4