REMARK Name = BDB004884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.359 -0.212 1.082 0.00 0.00 -0.320 N ATOM 2 H LIG 1 -0.093 -0.551 2.002 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.810 -0.155 0.299 0.00 0.00 +0.130 A ATOM 4 C LIG 1 1.618 -1.309 0.188 0.00 0.00 +0.041 A ATOM 5 C LIG 1 2.783 -1.195 -0.597 0.00 0.00 +0.088 A ATOM 6 C LIG 1 3.611 -2.333 -0.706 0.00 0.00 +0.063 A ATOM 7 C LIG 1 3.280 -3.545 -0.068 0.00 0.00 +0.015 A ATOM 8 C LIG 1 2.122 -3.652 0.684 0.00 0.00 +0.002 A ATOM 9 N LIG 1 3.076 -0.032 -1.218 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 2.221 0.986 -1.073 0.00 0.00 +0.223 A ATOM 11 C LIG 1 1.297 -2.543 0.808 0.00 0.00 +0.013 A ATOM 12 N LIG 1 1.102 0.975 -0.355 0.00 0.00 -0.220 NA BRANCH 6 13 ATOM 13 C LIG 1 4.883 -2.350 -1.496 0.00 0.00 +0.244 C ATOM 14 O LIG 1 5.567 -3.364 -1.590 0.00 0.00 -0.270 OA ATOM 15 N LIG 1 5.279 -1.204 -2.118 0.00 0.00 -0.325 N ATOM 16 H LIG 1 4.708 -0.365 -2.075 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 6.122 -1.213 -2.673 0.00 0.00 +0.145 HD ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -1.221 0.979 1.232 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 -0.540 2.060 2.072 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -0.022 3.239 1.516 0.00 0.00 +0.005 A ATOM 21 C LIG 1 0.592 4.202 2.321 0.00 0.00 +0.000 A ATOM 22 C LIG 1 0.700 4.002 3.694 0.00 0.00 +0.000 A ATOM 23 C LIG 1 0.196 2.837 4.266 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -0.417 1.874 3.463 0.00 0.00 +0.005 A ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 C LIG 1 -1.931 1.454 -0.086 0.00 0.00 +0.111 C BRANCH 25 26 ATOM 26 N LIG 1 -2.865 0.540 -0.806 0.00 0.00 -0.303 NA ATOM 27 C LIG 1 -3.890 0.012 0.092 0.00 0.00 +0.105 C BRANCH 26 28 ATOM 28 C LIG 1 -2.152 -0.525 -1.526 0.00 0.00 +0.084 C BRANCH 28 30 ATOM 29 C LIG 1 -4.132 -1.456 -2.906 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -2.746 -0.836 -2.909 0.00 0.00 +0.012 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 18 25 ENDBRANCH 1 18 TORSDOF 8