REMARK Name = BDB048523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.017 0.329 -0.249 0.00 0.00 +0.055 A ATOM 2 C LIG 1 -1.274 1.627 -0.749 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.194 2.428 -1.132 0.00 0.00 +0.025 A ATOM 4 C LIG 1 1.116 1.951 -1.023 0.00 0.00 +0.010 A ATOM 5 C LIG 1 1.385 0.665 -0.526 0.00 0.00 -0.016 A ATOM 6 C LIG 1 0.296 -0.137 -0.140 0.00 0.00 +0.033 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -2.622 2.058 -0.852 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -2.937 3.255 -0.033 0.00 0.00 +0.120 C ATOM 9 C LIG 1 -3.329 4.481 -0.889 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -4.409 4.253 -1.874 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -5.715 4.647 -1.353 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.438 2.845 -2.338 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.060 2.152 -2.267 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 5 14 ATOM 14 C LIG 1 2.770 0.170 -0.415 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.130 -1.095 -0.903 0.00 0.00 +0.010 A ATOM 16 C LIG 1 4.446 -1.564 -0.798 0.00 0.00 +0.024 A ATOM 17 C LIG 1 5.440 -0.780 -0.204 0.00 0.00 +0.033 A ATOM 18 C LIG 1 5.094 0.476 0.287 0.00 0.00 +0.024 A ATOM 19 C LIG 1 3.776 0.944 0.182 0.00 0.00 +0.010 A BRANCH 17 20 ATOM 20 N LIG 1 6.737 -1.329 -0.137 0.00 0.00 -0.285 N ATOM 21 H LIG 1 6.840 -2.256 -0.527 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 7.882 -0.737 0.374 0.00 0.00 +0.220 C ATOM 23 O LIG 1 7.965 0.394 0.840 0.00 0.00 -0.275 OA BRANCH 22 24 ATOM 24 C LIG 1 9.097 -1.668 0.298 0.00 0.00 +0.069 C ATOM 25 C LIG 1 10.390 -0.915 0.606 0.00 0.00 +0.017 C ATOM 26 C LIG 1 8.932 -2.845 1.259 0.00 0.00 +0.017 C ENDBRANCH 22 24 ENDBRANCH 17 20 ENDBRANCH 5 14 BRANCH 1 28 ATOM 27 C LIG 1 -2.224 -1.700 0.602 0.00 0.00 +0.250 C ATOM 28 N LIG 1 -2.156 -0.413 0.127 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -3.013 0.118 -0.015 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 -1.289 -2.470 0.791 0.00 0.00 -0.270 OA BRANCH 27 35 ATOM 31 C LIG 1 -7.231 -2.341 -0.175 0.00 0.00 +0.048 C ATOM 32 C LIG 1 -5.976 -2.468 0.643 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -4.722 -2.036 0.170 0.00 0.00 +0.059 A ATOM 34 CL LIG 1 -4.609 -1.387 -1.435 0.00 0.00 -0.082 Cl ATOM 35 C LIG 1 -3.584 -2.160 0.987 0.00 0.00 +0.057 A ATOM 36 C LIG 1 -3.688 -2.755 2.256 0.00 0.00 +0.040 A ATOM 37 C LIG 1 -4.909 -3.240 2.718 0.00 0.00 +0.061 A ATOM 38 C LIG 1 -6.044 -3.045 1.919 0.00 0.00 +0.148 A ATOM 39 F LIG 1 -7.234 -3.453 2.393 0.00 0.00 -0.203 F BRANCH 37 40 ATOM 40 N LIG 1 -5.027 -3.706 4.036 0.00 0.00 -0.356 N ATOM 41 H LIG 1 -4.192 -4.154 4.402 0.00 0.00 +0.142 HD ATOM 42 H LIG 1 -5.869 -4.258 4.187 0.00 0.00 +0.142 HD ENDBRANCH 37 40 ENDBRANCH 27 35 ENDBRANCH 1 28 TORSDOF 7