REMARK Name = BDB026697 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.710 -2.183 1.670 0.00 0.00 +0.039 A ATOM 2 C LIG 1 2.645 -2.795 0.997 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.668 -1.985 0.398 0.00 0.00 +0.090 A ATOM 4 N LIG 1 0.570 -2.369 -0.314 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 -0.063 -1.256 -0.639 0.00 0.00 +0.120 A ATOM 6 N LIG 1 0.658 -0.133 -0.238 0.00 0.00 -0.296 N ATOM 7 C LIG 1 1.758 -0.599 0.478 0.00 0.00 +0.074 A ATOM 8 C LIG 1 2.846 0.031 1.105 0.00 0.00 +0.029 A ATOM 9 C LIG 1 3.813 -0.787 1.704 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.372 1.230 -0.523 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -0.005 1.612 -1.817 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -0.261 2.960 -2.102 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -0.761 3.387 -3.454 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -0.354 4.817 -3.768 0.00 0.00 +0.101 C ATOM 15 C LIG 1 -0.638 5.753 -2.617 0.00 0.00 +0.218 C ATOM 16 N LIG 1 -0.429 5.253 -1.359 0.00 0.00 -0.285 N ATOM 17 H LIG 1 -0.485 5.926 -0.605 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -0.950 6.929 -2.786 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -0.145 3.913 -1.085 0.00 0.00 +0.037 A ATOM 20 C LIG 1 0.218 3.535 0.206 0.00 0.00 +0.025 A ATOM 21 C LIG 1 0.485 2.193 0.487 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 1 25 ATOM 22 C LIG 1 5.343 -5.046 3.528 0.00 0.00 +0.128 C ATOM 23 N LIG 1 4.415 -4.241 2.773 0.00 0.00 -0.314 N ATOM 24 H LIG 1 3.433 -4.468 2.844 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 4.778 -2.985 2.329 0.00 0.00 +0.244 C ATOM 26 O LIG 1 5.897 -2.510 2.484 0.00 0.00 -0.270 OA ENDBRANCH 1 25 BRANCH 5 27 ATOM 27 C LIG 1 -1.434 -1.240 -1.253 0.00 0.00 +0.110 C BRANCH 27 28 ATOM 28 C LIG 1 -2.467 -1.900 -0.360 0.00 0.00 -0.026 A ATOM 29 C LIG 1 -3.187 -1.199 0.625 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -4.066 -1.871 1.488 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -4.252 -3.247 1.362 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -3.554 -3.954 0.387 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.665 -3.289 -0.461 0.00 0.00 +0.005 A BRANCH 29 34 ATOM 34 C LIG 1 -3.060 0.257 0.825 0.00 0.00 +0.339 C ATOM 35 O LIG 1 -2.649 0.774 1.848 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.557 0.879 -0.271 0.00 0.00 -0.464 OA ATOM 37 C LIG 1 -3.628 2.301 -0.160 0.00 0.00 +0.280 C ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 6