REMARK Name = BDB027907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.794 0.041 1.183 0.00 0.00 +0.028 A ATOM 2 C LIG 1 0.438 0.247 1.830 0.00 0.00 +0.026 A ATOM 3 C LIG 1 1.642 -0.219 1.293 0.00 0.00 +0.048 A ATOM 4 C LIG 1 1.639 -0.878 0.068 0.00 0.00 +0.129 A ATOM 5 C LIG 1 0.434 -1.094 -0.594 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -0.767 -0.622 -0.048 0.00 0.00 +0.026 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -1.927 0.600 1.774 0.00 0.00 -0.333 N ATOM 8 H LIG 1 -1.867 0.482 2.787 0.00 0.00 +0.147 HD BRANCH 7 15 ATOM 9 O LIG 1 -6.198 -0.876 -1.350 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -5.302 -0.477 -0.612 0.00 0.00 +0.219 C ATOM 11 N LIG 1 -4.567 -1.355 0.142 0.00 0.00 -0.255 N ATOM 12 H LIG 1 -4.850 -2.324 0.080 0.00 0.00 +0.158 HD ATOM 13 C LIG 1 -3.737 -1.047 1.195 0.00 0.00 +0.239 C ATOM 14 O LIG 1 -3.433 -1.910 2.018 0.00 0.00 -0.273 OA ATOM 15 C LIG 1 -3.311 0.422 1.312 0.00 0.00 +0.158 C ATOM 16 C LIG 1 -3.592 1.229 0.045 0.00 0.00 +0.041 C ATOM 17 C LIG 1 -5.024 0.993 -0.407 0.00 0.00 +0.098 C ENDBRANCH 7 15 ENDBRANCH 1 7 BRANCH 4 18 ATOM 18 O LIG 1 2.774 -1.396 -0.511 0.00 0.00 -0.456 OA BRANCH 18 19 ATOM 19 C LIG 1 3.893 -0.596 -0.539 0.00 0.00 +0.128 A ATOM 20 C LIG 1 5.102 -1.184 -0.168 0.00 0.00 +0.046 A ATOM 21 C LIG 1 6.280 -0.436 -0.208 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.248 0.892 -0.634 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.041 1.472 -1.027 0.00 0.00 +0.004 A ATOM 24 C LIG 1 3.862 0.727 -0.988 0.00 0.00 +0.046 A ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 4