REMARK Name = BDB001875 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.131 -1.002 0.947 0.00 0.00 +0.181 A ATOM 2 N LIG 1 -2.227 -1.678 0.571 0.00 0.00 -0.193 NA ATOM 3 C LIG 1 -3.390 -1.023 0.595 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -3.487 0.263 0.971 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -2.385 0.938 1.340 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -1.162 0.311 1.357 0.00 0.00 +0.093 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -4.556 -1.707 0.237 0.00 0.00 -0.306 N ATOM 8 C LIG 1 -4.333 -2.899 -0.566 0.00 0.00 +0.132 C ATOM 9 C LIG 1 -5.662 -0.849 -0.152 0.00 0.00 +0.132 C ENDBRANCH 3 7 BRANCH 5 10 ATOM 10 N LIG 1 -2.492 2.285 1.753 0.00 0.00 -0.321 N ATOM 11 C LIG 1 -3.879 2.732 1.895 0.00 0.00 +0.130 C ATOM 12 C LIG 1 -1.643 3.196 0.982 0.00 0.00 +0.130 C ENDBRANCH 5 10 BRANCH 1 14 ATOM 13 N LIG 1 0.970 -1.170 0.319 0.00 0.00 -0.181 NA ATOM 14 N LIG 1 0.057 -1.759 0.940 0.00 0.00 -0.134 NA BRANCH 13 15 ATOM 15 C LIG 1 2.207 -1.962 0.282 0.00 0.00 +0.201 C BRANCH 15 19 ATOM 16 C LIG 1 5.383 0.309 -1.580 0.00 0.00 +0.120 A ATOM 17 C LIG 1 4.486 -0.418 -2.362 0.00 0.00 +0.046 A ATOM 18 C LIG 1 3.462 -1.156 -1.757 0.00 0.00 +0.009 A ATOM 19 C LIG 1 3.327 -1.183 -0.363 0.00 0.00 -0.024 A ATOM 20 C LIG 1 4.222 -0.441 0.416 0.00 0.00 +0.009 A ATOM 21 C LIG 1 5.242 0.295 -0.191 0.00 0.00 +0.046 A BRANCH 16 23 ATOM 22 C LIG 1 6.615 1.105 -3.450 0.00 0.00 +0.277 C ATOM 23 O LIG 1 6.422 1.069 -2.042 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 1 14 TORSDOF 6