REMARK Name = BDB019763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.043 -0.624 -0.359 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.032 0.772 -0.268 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.245 1.405 0.050 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.385 0.609 0.255 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.329 -0.789 0.152 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.105 -1.397 -0.165 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.326 2.872 0.146 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -0.719 3.610 1.185 0.00 0.00 +0.051 A ATOM 9 CL LIG 1 0.166 2.837 2.458 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -0.821 5.002 1.231 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -1.530 5.668 0.242 0.00 0.00 +0.125 A ATOM 12 F LIG 1 -1.628 7.003 0.286 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.141 4.973 -0.793 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.040 3.582 -0.840 0.00 0.00 +0.013 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.471 -0.689 -0.259 0.00 0.00 -0.307 N ATOM 16 H LIG 1 2.401 0.038 0.441 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.320 -1.314 -0.685 0.00 0.00 +0.244 C ATOM 18 O LIG 1 1.311 -2.389 -1.272 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.749 -1.345 -0.405 0.00 0.00 +0.139 C BRANCH 19 26 ATOM 20 C LIG 1 7.016 0.503 2.957 0.00 0.00 +0.045 C ATOM 21 C LIG 1 6.448 0.520 1.566 0.00 0.00 -0.032 A ATOM 22 C LIG 1 6.910 1.412 0.587 0.00 0.00 +0.044 A ATOM 23 CL LIG 1 8.165 2.552 0.923 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 6.359 1.407 -0.696 0.00 0.00 +0.020 A ATOM 25 C LIG 1 5.342 0.509 -1.020 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.870 -0.398 -0.064 0.00 0.00 -0.030 A ATOM 27 C LIG 1 5.422 -0.379 1.226 0.00 0.00 +0.010 A ENDBRANCH 19 26 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -3.566 -1.631 0.359 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 -3.981 -2.194 -0.909 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -3.915 -1.544 -1.681 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.076 -2.981 -0.973 0.00 0.00 +0.176 C ATOM 32 N LIG 1 -5.450 -3.298 -2.240 0.00 0.00 -0.316 N ATOM 33 H LIG 1 -4.665 -3.510 -2.844 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -6.433 -4.357 -2.130 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -6.838 -4.250 -0.657 0.00 0.00 +0.163 C ATOM 36 N LIG 1 -5.763 -3.470 0.015 0.00 0.00 -0.255 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7