REMARK Name = BDB025580 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.317 -0.322 -0.464 0.00 0.00 +0.198 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.271 -1.685 -0.945 0.00 0.00 +0.026 C ATOM 3 C LIG 1 1.088 -1.524 -2.243 0.00 0.00 +0.025 C ATOM 4 C LIG 1 2.037 -2.697 -2.462 0.00 0.00 +0.108 C ATOM 5 N LIG 1 3.005 -2.797 -1.374 0.00 0.00 -0.302 N ATOM 6 C LIG 1 4.277 -3.275 -1.660 0.00 0.00 +0.212 C ATOM 7 O LIG 1 4.602 -3.671 -2.780 0.00 0.00 -0.276 OA ATOM 8 C LIG 1 5.274 -3.297 -0.528 0.00 0.00 +0.109 C ATOM 9 C LIG 1 2.569 -2.386 -0.038 0.00 0.00 +0.108 C ATOM 10 C LIG 1 1.054 -2.479 0.126 0.00 0.00 +0.025 C ENDBRANCH 1 2 BRANCH 1 13 ATOM 11 C LIG 1 -3.485 0.453 1.655 0.00 0.00 +0.164 C ATOM 12 N LIG 1 -2.351 0.560 0.723 0.00 0.00 -0.286 N ATOM 13 C LIG 1 -1.515 -0.513 0.482 0.00 0.00 +0.241 C ATOM 14 O LIG 1 -1.788 -1.619 0.963 0.00 0.00 -0.273 OA ATOM 15 C LIG 1 -2.185 1.941 0.284 0.00 0.00 +0.140 C ATOM 16 C LIG 1 -3.419 2.683 0.804 0.00 0.00 +0.134 C ATOM 17 C LIG 1 -3.762 1.897 2.066 0.00 0.00 +0.065 C BRANCH 11 21 ATOM 18 C LIG 1 -5.555 -2.322 0.031 0.00 0.00 +0.128 C ATOM 19 N LIG 1 -4.509 -1.510 0.593 0.00 0.00 -0.317 N ATOM 20 H LIG 1 -3.627 -1.949 0.863 0.00 0.00 +0.148 HD ATOM 21 C LIG 1 -4.706 -0.196 0.960 0.00 0.00 +0.233 C ATOM 22 O LIG 1 -5.762 0.400 0.762 0.00 0.00 -0.274 OA ENDBRANCH 11 21 BRANCH 16 23 ATOM 23 O LIG 1 -3.140 4.034 1.125 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -3.136 4.543 0.295 0.00 0.00 +0.210 HD ENDBRANCH 16 23 ENDBRANCH 1 13 BRANCH 1 25 ATOM 25 N LIG 1 0.681 0.572 0.101 0.00 0.00 -0.239 N ATOM 26 N LIG 1 1.089 0.452 1.377 0.00 0.00 -0.065 NA ATOM 27 N LIG 1 1.997 1.393 1.599 0.00 0.00 -0.134 NA ATOM 28 C LIG 1 2.141 2.111 0.451 0.00 0.00 +0.086 A ATOM 29 C LIG 1 1.316 1.609 -0.523 0.00 0.00 +0.134 A BRANCH 28 30 ATOM 30 C LIG 1 3.107 3.301 0.282 0.00 0.00 +0.041 C ATOM 31 C LIG 1 2.553 4.667 -0.032 0.00 0.00 +0.010 C ATOM 32 C LIG 1 3.118 4.384 1.329 0.00 0.00 +0.010 C ENDBRANCH 28 30 ENDBRANCH 1 25 TORSDOF 6