REMARK Name = BDB019056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.947 -0.654 0.007 0.00 0.00 +0.026 A ATOM 2 C LIG 1 0.210 0.170 -0.884 0.00 0.00 +0.078 A ATOM 3 N LIG 1 -1.146 0.269 -0.667 0.00 0.00 -0.271 N ATOM 4 C LIG 1 -1.628 1.155 -1.594 0.00 0.00 +0.206 A ATOM 5 N LIG 1 -0.689 1.568 -2.420 0.00 0.00 -0.243 NA ATOM 6 C LIG 1 -1.808 -0.421 0.363 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.123 -1.157 1.198 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 0.462 0.955 -1.985 0.00 0.00 +0.139 A ATOM 9 C LIG 1 0.242 -1.251 0.995 0.00 0.00 +0.125 A ENDROOT BRANCH 1 17 ATOM 10 C LIG 1 7.816 2.141 0.191 0.00 0.00 +0.105 C ATOM 11 N LIG 1 6.960 1.025 -0.204 0.00 0.00 -0.301 NA ATOM 12 C LIG 1 5.583 1.244 0.272 0.00 0.00 +0.119 C ATOM 13 C LIG 1 4.669 0.056 0.051 0.00 0.00 -0.030 A ATOM 14 C LIG 1 5.194 -1.232 -0.151 0.00 0.00 -0.042 A ATOM 15 C LIG 1 4.328 -2.319 -0.324 0.00 0.00 +0.004 A ATOM 16 C LIG 1 2.945 -2.134 -0.270 0.00 0.00 +0.009 A ATOM 17 C LIG 1 2.408 -0.861 -0.046 0.00 0.00 -0.014 A ATOM 18 C LIG 1 6.686 -1.428 -0.250 0.00 0.00 +0.051 C ATOM 19 C LIG 1 3.277 0.228 0.113 0.00 0.00 +0.013 A ATOM 20 C LIG 1 7.477 -0.245 0.324 0.00 0.00 +0.089 C ENDBRANCH 1 17 BRANCH 6 21 ATOM 21 N LIG 1 -3.174 -0.319 0.524 0.00 0.00 -0.310 N ATOM 22 H LIG 1 -3.389 -0.724 1.437 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.049 -0.961 -0.455 0.00 0.00 +0.143 C BRANCH 23 24 ATOM 24 C LIG 1 -5.482 -0.828 -0.026 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -6.123 0.402 0.092 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -5.598 1.778 -0.089 0.00 0.00 +0.080 C ATOM 27 C LIG 1 -6.917 2.552 -0.084 0.00 0.00 +0.234 C ATOM 28 O LIG 1 -7.923 1.766 0.594 0.00 0.00 -0.491 OA ATOM 29 C LIG 1 -7.447 0.484 0.507 0.00 0.00 +0.124 A ATOM 30 C LIG 1 -8.193 -0.635 0.819 0.00 0.00 +0.049 A ATOM 31 C LIG 1 -7.579 -1.879 0.693 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -6.244 -1.966 0.274 0.00 0.00 +0.129 A ATOM 33 F LIG 1 -5.689 -3.182 0.170 0.00 0.00 -0.205 F ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 6 21 TORSDOF 4