REMARK Name = BDB010655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.301 -0.396 -0.689 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.077 -0.251 -0.720 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.625 -1.356 -0.101 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.473 -2.024 0.416 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.400 -3.134 1.167 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -0.854 -3.546 1.373 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -1.988 -2.974 0.907 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -1.895 -1.865 0.141 0.00 0.00 +0.102 A ATOM 9 N LIG 1 1.636 -1.411 0.069 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.016 -4.759 2.202 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -2.298 -5.165 2.403 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -2.173 -6.274 3.178 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -3.088 -6.961 3.595 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -0.834 -6.451 3.384 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -0.415 -7.197 3.924 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -0.100 -5.490 2.766 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -3.141 -1.327 -0.374 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -3.461 -1.371 -1.738 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -4.667 -0.840 -2.186 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -5.062 -0.864 -3.855 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -5.531 -0.282 -1.258 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -5.270 -0.230 0.069 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -4.095 -0.770 0.478 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 3.533 0.585 -0.768 0.00 0.00 +0.165 C ATOM 25 N LIG 1 2.146 0.476 -1.296 0.00 0.00 -0.289 N ATOM 26 C LIG 1 2.196 0.517 -2.767 0.00 0.00 +0.109 C ATOM 27 C LIG 1 3.590 1.044 -3.120 0.00 0.00 +0.021 C ATOM 28 C LIG 1 4.163 1.535 -1.798 0.00 0.00 +0.034 C BRANCH 24 32 ATOM 29 C LIG 1 6.829 -2.868 0.590 0.00 0.00 +0.091 C ATOM 30 C LIG 1 5.778 -2.129 -0.133 0.00 0.00 +0.169 A ATOM 31 N LIG 1 5.336 -0.895 0.267 0.00 0.00 -0.195 NA ATOM 32 C LIG 1 4.393 -0.642 -0.618 0.00 0.00 +0.248 A ATOM 33 O LIG 1 4.266 -1.624 -1.562 0.00 0.00 -0.336 OA ATOM 34 N LIG 1 5.204 -2.607 -1.243 0.00 0.00 -0.062 NA ENDBRANCH 24 32 ENDBRANCH 1 25 BRANCH 2 35 ATOM 35 C LIG 1 -0.798 0.931 -1.161 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -1.329 1.803 -0.006 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -2.337 2.826 -0.551 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -2.870 3.741 0.549 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.732 4.454 1.289 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -2.285 5.326 2.415 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.721 3.440 1.836 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.190 2.519 0.738 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 6