REMARK Name = BDB015146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.546 -2.875 0.102 0.00 0.00 -0.013 A ATOM 2 C LIG 1 1.432 -2.023 0.161 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.148 -2.515 -0.077 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.062 -3.866 -0.336 0.00 0.00 +0.045 A ATOM 5 C LIG 1 1.031 -4.727 -0.397 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.323 -4.234 -0.186 0.00 0.00 +0.009 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 5.686 -0.780 -0.120 0.00 0.00 +0.056 A ATOM 8 C LIG 1 4.392 -1.244 -0.365 0.00 0.00 +0.024 A ATOM 9 C LIG 1 3.904 -2.360 0.328 0.00 0.00 +0.001 A ATOM 10 C LIG 1 4.780 -2.956 1.241 0.00 0.00 +0.119 A ATOM 11 N LIG 1 6.051 -2.544 1.483 0.00 0.00 -0.262 NA ATOM 12 C LIG 1 6.480 -1.470 0.781 0.00 0.00 +0.123 A BRANCH 7 14 ATOM 13 O LIG 1 6.098 0.358 -2.099 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 6.206 0.373 -0.875 0.00 0.00 +0.248 C ATOM 15 N LIG 1 6.773 1.424 -0.177 0.00 0.00 -0.297 N ATOM 16 C LIG 1 7.293 2.579 -0.889 0.00 0.00 +0.108 C ATOM 17 C LIG 1 7.875 3.466 0.203 0.00 0.00 +0.020 C ATOM 18 C LIG 1 6.955 3.182 1.385 0.00 0.00 +0.020 C ATOM 19 C LIG 1 6.686 1.688 1.257 0.00 0.00 +0.108 C ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 3 20 ATOM 20 O LIG 1 -0.905 -1.648 0.021 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.405 -1.310 -1.283 0.00 0.00 +0.261 C BRANCH 21 22 ATOM 22 C LIG 1 -2.430 -0.166 -1.178 0.00 0.00 +0.166 C BRANCH 22 23 ATOM 23 O LIG 1 -1.763 1.045 -0.787 0.00 0.00 -0.387 OA ATOM 24 H LIG 1 -1.194 1.324 -1.525 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -3.539 -0.492 -0.149 0.00 0.00 +0.119 C BRANCH 25 26 ATOM 26 N LIG 1 -4.706 0.416 -0.236 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -5.458 0.386 1.034 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -6.771 1.140 0.995 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -7.390 1.454 -0.227 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -8.623 2.121 -0.235 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -9.252 2.451 0.966 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.649 2.128 2.180 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.693 1.129 -1.523 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -7.417 1.474 2.196 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.600 0.066 -1.350 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 8