REMARK Name = BDB022145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.726 -1.270 0.652 0.00 0.00 +0.080 A ATOM 2 C LIG 1 -0.528 -0.944 0.145 0.00 0.00 +0.086 A ATOM 3 N LIG 1 -1.468 -1.415 1.062 0.00 0.00 -0.199 N ATOM 4 N LIG 1 -0.850 -2.104 2.075 0.00 0.00 -0.171 NA ATOM 5 C LIG 1 0.448 -2.022 1.804 0.00 0.00 +0.148 A ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -2.904 -1.239 1.075 0.00 0.00 +0.252 A ATOM 7 N LIG 1 -3.466 -0.409 0.178 0.00 0.00 -0.210 NA ATOM 8 C LIG 1 -4.809 -0.273 0.207 0.00 0.00 +0.086 A ATOM 9 C LIG 1 -5.617 -0.886 1.150 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -7.100 -0.733 1.231 0.00 0.00 +0.047 C ATOM 11 C LIG 1 -4.944 -1.702 2.034 0.00 0.00 +0.120 A ATOM 12 N LIG 1 -3.612 -1.887 2.026 0.00 0.00 -0.219 NA BRANCH 8 13 ATOM 13 C LIG 1 -5.303 0.629 -0.835 0.00 0.00 +0.038 A ATOM 14 S LIG 1 -6.353 0.051 -2.062 0.00 0.00 -0.095 S ATOM 15 C LIG 1 -6.418 1.582 -2.822 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -5.639 2.514 -2.175 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -4.986 1.960 -1.035 0.00 0.00 +0.017 A ENDBRANCH 8 13 ENDBRANCH 3 6 BRANCH 1 19 ATOM 18 N LIG 1 3.041 -0.481 0.844 0.00 0.00 -0.296 N ATOM 19 C LIG 1 2.011 -0.979 0.036 0.00 0.00 +0.250 C ATOM 20 O LIG 1 2.168 -1.163 -1.170 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 21 C LIG 1 3.498 -0.652 3.281 0.00 0.00 +0.024 C ATOM 22 C LIG 1 2.840 0.137 2.160 0.00 0.00 +0.105 C ENDBRANCH 18 22 BRANCH 18 23 ATOM 23 C LIG 1 4.350 -0.273 0.206 0.00 0.00 +0.123 C BRANCH 23 24 ATOM 24 C LIG 1 4.431 1.052 -0.583 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 N LIG 1 5.755 1.299 -1.190 0.00 0.00 -0.307 NA ATOM 26 C LIG 1 5.656 2.369 -2.187 0.00 0.00 +0.104 C ATOM 27 C LIG 1 6.761 1.652 -0.187 0.00 0.00 +0.104 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 1 19 BRANCH 2 28 ATOM 28 C LIG 1 -0.875 -0.254 -1.126 0.00 0.00 +0.215 C BRANCH 28 29 ATOM 29 O LIG 1 -1.506 -1.198 -1.988 0.00 0.00 -0.377 OA ATOM 30 C LIG 1 -0.581 -1.971 -2.742 0.00 0.00 +0.194 C ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 9