REMARK Name = BDB024186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.353 0.301 -2.186 0.00 0.00 -0.269 N ATOM 2 H LIG 1 0.232 0.484 -3.175 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 1.658 0.144 -1.845 0.00 0.00 +0.240 C ATOM 4 O LIG 1 2.490 0.439 -2.719 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -3.483 0.196 -0.504 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -3.164 0.215 -1.863 0.00 0.00 +0.136 A ATOM 7 N LIG 1 -1.910 0.261 -2.386 0.00 0.00 -0.238 NA ATOM 8 C LIG 1 -0.871 0.249 -1.533 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -1.065 0.248 -0.167 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -2.373 0.208 0.342 0.00 0.00 +0.028 A BRANCH 5 16 ATOM 11 C LIG 1 -8.813 0.480 1.522 0.00 0.00 +0.132 C ATOM 12 N LIG 1 -7.434 0.547 1.074 0.00 0.00 -0.302 N ATOM 13 C LIG 1 -7.159 1.183 -0.134 0.00 0.00 +0.233 C ATOM 14 O LIG 1 -8.022 1.819 -0.746 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -5.712 1.148 -0.671 0.00 0.00 +0.201 C ATOM 16 N LIG 1 -4.808 0.141 -0.050 0.00 0.00 -0.318 N ATOM 17 C LIG 1 -5.057 -0.094 1.376 0.00 0.00 +0.124 C ATOM 18 C LIG 1 -6.525 -0.476 1.569 0.00 0.00 +0.126 C ENDBRANCH 5 16 ENDBRANCH 1 8 BRANCH 3 19 ATOM 19 C LIG 1 2.135 -0.360 -0.450 0.00 0.00 +0.171 C BRANCH 19 20 ATOM 20 C LIG 1 1.606 -1.742 -0.092 0.00 0.00 -0.022 A ATOM 21 C LIG 1 1.563 -2.775 -1.042 0.00 0.00 +0.005 A ATOM 22 C LIG 1 1.085 -4.041 -0.699 0.00 0.00 +0.000 A ATOM 23 C LIG 1 0.659 -4.298 0.602 0.00 0.00 +0.000 A ATOM 24 C LIG 1 0.722 -3.294 1.565 0.00 0.00 +0.000 A ATOM 25 C LIG 1 1.200 -2.027 1.223 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 3.621 -0.392 -0.454 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 3.940 0.280 -1.160 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 4.208 -0.070 0.846 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 5.745 -0.077 0.791 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 6.326 1.087 0.021 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.664 0.944 -1.333 0.00 0.00 +0.005 A ATOM 32 C LIG 1 7.182 2.024 -2.051 0.00 0.00 +0.020 A ATOM 33 C LIG 1 7.366 3.251 -1.418 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 8.006 4.582 -2.301 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 7.034 3.408 -0.074 0.00 0.00 +0.020 A ATOM 36 C LIG 1 6.513 2.329 0.644 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 3 19 TORSDOF 8