REMARK Name = BDB034667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.329 0.019 1.401 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -0.016 -0.233 1.731 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.873 0.843 1.849 0.00 0.00 +0.072 A ATOM 4 N LIG 1 -2.242 0.888 2.158 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -2.667 2.237 2.147 0.00 0.00 +0.330 A ATOM 6 N LIG 1 -1.528 3.007 1.837 0.00 0.00 -0.295 N ATOM 7 C LIG 1 -1.499 4.433 1.693 0.00 0.00 +0.154 C ATOM 8 O LIG 1 -3.799 2.643 2.357 0.00 0.00 -0.246 OA ATOM 9 C LIG 1 -0.436 2.152 1.651 0.00 0.00 +0.070 A ATOM 10 C LIG 1 0.870 2.438 1.327 0.00 0.00 +0.030 A ATOM 11 C LIG 1 1.752 1.355 1.203 0.00 0.00 +0.025 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 2.195 -1.084 1.234 0.00 0.00 -0.313 N ATOM 13 H LIG 1 1.890 -1.903 1.758 0.00 0.00 +0.152 HD BRANCH 12 19 ATOM 14 C LIG 1 4.778 -0.652 -1.396 0.00 0.00 +0.129 A ATOM 15 N LIG 1 5.740 -1.545 -1.055 0.00 0.00 -0.229 NA ATOM 16 C LIG 1 5.494 -2.289 0.043 0.00 0.00 +0.149 A ATOM 17 CL LIG 1 6.777 -3.387 0.384 0.00 0.00 -0.061 Cl ATOM 18 C LIG 1 4.347 -2.195 0.825 0.00 0.00 +0.110 A ATOM 19 C LIG 1 3.359 -1.262 0.452 0.00 0.00 +0.054 A ATOM 20 C LIG 1 3.597 -0.480 -0.686 0.00 0.00 +0.057 A BRANCH 14 24 ATOM 21 C LIG 1 6.704 0.643 -4.380 0.00 0.00 +0.128 C ATOM 22 N LIG 1 6.220 -0.128 -3.266 0.00 0.00 -0.313 N ATOM 23 H LIG 1 6.824 -0.814 -2.822 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 5.049 0.184 -2.609 0.00 0.00 +0.262 C ATOM 25 O LIG 1 4.279 1.072 -2.952 0.00 0.00 -0.269 OA ENDBRANCH 14 24 BRANCH 18 26 ATOM 26 C LIG 1 4.180 -3.023 1.976 0.00 0.00 +0.104 C ATOM 27 N LIG 1 3.987 -3.687 2.909 0.00 0.00 -0.191 NA ENDBRANCH 18 26 ENDBRANCH 12 19 ENDBRANCH 1 12 BRANCH 4 28 ATOM 28 C LIG 1 -3.094 -0.246 2.408 0.00 0.00 +0.129 C BRANCH 28 29 ATOM 29 C LIG 1 -3.499 -1.002 1.141 0.00 0.00 +0.048 C BRANCH 29 30 ATOM 30 C LIG 1 -4.329 -0.183 0.138 0.00 0.00 +0.106 C ATOM 31 C LIG 1 -5.711 0.202 0.670 0.00 0.00 +0.032 C BRANCH 30 32 ATOM 32 N LIG 1 -4.435 -0.918 -1.127 0.00 0.00 -0.269 N ATOM 33 N LIG 1 -3.663 -0.555 -2.171 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 -3.986 -1.428 -3.127 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -4.942 -2.364 -2.697 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -5.206 -2.018 -1.393 0.00 0.00 +0.108 A ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 8