REMARK Name = BDB048286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.818 -0.316 -1.200 0.00 0.00 +0.061 A ATOM 2 C LIG 1 3.771 0.654 -0.194 0.00 0.00 +0.042 A ATOM 3 C LIG 1 2.534 0.903 0.363 0.00 0.00 +0.068 A ATOM 4 N LIG 1 2.236 1.774 1.399 0.00 0.00 -0.306 N ATOM 5 H LIG 1 2.862 2.377 1.910 0.00 0.00 +0.170 HD ATOM 6 C LIG 1 0.855 1.709 1.682 0.00 0.00 +0.334 A ATOM 7 N LIG 1 0.314 0.778 0.754 0.00 0.00 -0.230 N ATOM 8 O LIG 1 0.331 2.383 2.553 0.00 0.00 -0.246 OA ATOM 9 C LIG 1 1.354 0.264 -0.044 0.00 0.00 +0.078 A ATOM 10 C LIG 1 1.402 -0.708 -1.025 0.00 0.00 +0.029 A ATOM 11 C LIG 1 2.645 -0.985 -1.615 0.00 0.00 +0.017 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.030 0.492 0.699 0.00 0.00 +0.218 A ATOM 13 N LIG 1 -1.653 -0.097 -0.376 0.00 0.00 -0.323 N ATOM 14 H LIG 1 -1.228 -0.309 -1.261 0.00 0.00 +0.169 HD ATOM 15 C LIG 1 -2.990 -0.230 -0.105 0.00 0.00 +0.068 A ATOM 16 C LIG 1 -3.132 0.325 1.157 0.00 0.00 +0.091 A ATOM 17 C LIG 1 -4.400 0.364 1.752 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -5.488 -0.162 1.044 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -5.315 -0.711 -0.230 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -4.056 -0.756 -0.839 0.00 0.00 +0.028 A ATOM 21 N LIG 1 -1.925 0.774 1.625 0.00 0.00 -0.212 NA ENDBRANCH 7 12 BRANCH 1 23 ATOM 22 O LIG 1 5.158 -0.865 -3.076 0.00 0.00 -0.245 OA ATOM 23 C LIG 1 5.088 -0.656 -1.878 0.00 0.00 +0.337 C BRANCH 23 24 ATOM 24 O LIG 1 6.136 -0.749 -1.035 0.00 0.00 -0.477 OA ATOM 25 H LIG 1 5.913 -0.736 -0.086 0.00 0.00 +0.295 HD ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 3