REMARK Name = BDB019610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.324 -0.681 -0.357 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.055 -1.850 -0.617 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.281 -2.104 0.021 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.758 -1.143 0.929 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.052 0.044 1.191 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.831 0.267 0.538 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.034 -3.339 -0.252 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -4.393 -3.337 -0.582 0.00 0.00 +0.221 A ATOM 9 F LIG 1 -5.042 -2.164 -0.673 0.00 0.00 -0.183 F ATOM 10 N LIG 1 -5.131 -4.444 -0.831 0.00 0.00 -0.227 NA ATOM 11 C LIG 1 -4.489 -5.628 -0.762 0.00 0.00 +0.117 A ATOM 12 C LIG 1 -3.140 -5.764 -0.462 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -2.502 -7.114 -0.368 0.00 0.00 +0.045 C ATOM 14 C LIG 1 -2.416 -4.598 -0.193 0.00 0.00 +0.017 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.879 0.345 -0.486 0.00 0.00 -0.303 N ATOM 16 H LIG 1 1.750 0.723 0.444 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 0.963 -0.483 -1.080 0.00 0.00 +0.245 C ATOM 18 O LIG 1 1.171 -1.066 -2.139 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.177 0.639 -1.070 0.00 0.00 +0.125 C BRANCH 19 23 ATOM 20 C LIG 1 7.909 0.809 0.679 0.00 0.00 +0.044 C ATOM 21 C LIG 1 6.438 1.019 0.870 0.00 0.00 -0.047 A ATOM 22 C LIG 1 5.537 0.722 -0.155 0.00 0.00 +0.028 A ATOM 23 C LIG 1 4.175 0.962 0.039 0.00 0.00 +0.062 A ATOM 24 N LIG 1 3.684 1.482 1.203 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 4.578 1.775 2.171 0.00 0.00 +0.111 A ATOM 26 C LIG 1 5.943 1.569 2.052 0.00 0.00 +0.023 A ENDBRANCH 19 23 BRANCH 19 27 ATOM 27 C LIG 1 2.997 1.744 -2.088 0.00 0.00 +0.015 C ATOM 28 C LIG 1 2.545 3.131 -1.685 0.00 0.00 +0.006 C ATOM 29 C LIG 1 3.916 2.934 -2.269 0.00 0.00 +0.006 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -2.596 1.066 2.165 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 N LIG 1 -3.939 1.482 1.815 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -4.526 1.615 2.634 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -4.201 2.464 0.927 0.00 0.00 +0.176 C ATOM 34 N LIG 1 -3.463 2.520 -0.210 0.00 0.00 -0.316 N ATOM 35 H LIG 1 -3.275 1.604 -0.604 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -4.141 3.435 -1.104 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -5.056 4.186 -0.132 0.00 0.00 +0.163 C ATOM 38 N LIG 1 -5.149 3.341 1.091 0.00 0.00 -0.255 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8