REMARK Name = BDB053228 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.272 -0.727 -0.224 0.00 0.00 +0.042 A ATOM 2 C LIG 1 -2.344 0.135 0.121 0.00 0.00 +0.010 A ATOM 3 C LIG 1 -3.668 -0.298 -0.126 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -4.815 0.581 0.229 0.00 0.00 +0.257 A ATOM 5 N LIG 1 -4.502 1.798 0.787 0.00 0.00 -0.329 N ATOM 6 H LIG 1 -5.294 2.385 1.020 0.00 0.00 +0.168 HD ATOM 7 C LIG 1 -3.229 2.229 1.022 0.00 0.00 +0.086 A ATOM 8 O LIG 1 -5.978 0.245 0.037 0.00 0.00 -0.267 OA ATOM 9 C LIG 1 -3.935 -1.544 -0.699 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -2.881 -2.381 -1.034 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -2.167 1.474 0.721 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -1.566 -1.976 -0.796 0.00 0.00 +0.024 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 1.232 -0.998 -0.313 0.00 0.00 +0.249 C ATOM 14 N LIG 1 0.068 -0.331 0.025 0.00 0.00 -0.281 N ATOM 15 H LIG 1 0.203 0.568 0.463 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 1.347 -2.042 -0.939 0.00 0.00 -0.270 OA BRANCH 13 19 ATOM 17 C LIG 1 3.397 -0.286 -2.223 0.00 0.00 +0.044 C ATOM 18 C LIG 1 3.486 0.042 -0.758 0.00 0.00 -0.038 A ATOM 19 C LIG 1 2.465 -0.302 0.147 0.00 0.00 +0.040 A ATOM 20 C LIG 1 2.592 -0.003 1.513 0.00 0.00 +0.013 A ATOM 21 C LIG 1 3.732 0.646 1.983 0.00 0.00 +0.001 A ATOM 22 C LIG 1 4.748 0.991 1.095 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.630 0.686 -0.264 0.00 0.00 +0.004 A ENDBRANCH 13 19 ENDBRANCH 1 14 TORSDOF 2