REMARK Name = BDB064414 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.034 0.618 -0.236 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.332 0.378 -0.237 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.449 -0.968 -0.560 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.716 -1.560 -0.668 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.854 -0.774 -0.443 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.716 0.579 -0.112 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.221 -1.535 -0.730 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.456 1.183 -0.004 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.670 -0.593 -0.473 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 5.175 -1.359 -0.544 0.00 0.00 +0.047 A ATOM 11 C LIG 1 5.682 -1.976 -1.668 0.00 0.00 +0.142 A ATOM 12 C LIG 1 5.167 -2.260 -3.021 0.00 0.00 +0.090 C ATOM 13 O LIG 1 6.953 -2.389 -1.415 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 7.307 -2.045 -0.124 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 6.236 -1.434 0.397 0.00 0.00 +0.088 A ATOM 16 C LIG 1 6.270 -0.945 1.795 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 -2.166 -0.819 -0.496 0.00 0.00 +0.147 C ATOM 18 N LIG 1 -2.656 -1.984 0.281 0.00 0.00 -0.261 N ATOM 19 C LIG 1 -4.003 -2.356 0.115 0.00 0.00 +0.220 C ATOM 20 O LIG 1 -4.585 -3.239 0.744 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.787 -1.490 -0.850 0.00 0.00 +0.096 C ATOM 22 C LIG 1 -4.056 -1.286 -2.162 0.00 0.00 +0.011 C ATOM 23 C LIG 1 -2.568 -1.014 -1.975 0.00 0.00 +0.031 C BRANCH 18 24 ATOM 24 C LIG 1 -1.880 -2.639 1.293 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -1.936 -4.037 1.419 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -1.182 -4.692 2.390 0.00 0.00 +0.160 A ATOM 27 F LIG 1 -1.241 -6.028 2.478 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -0.373 -3.972 3.255 0.00 0.00 +0.159 A ATOM 29 F LIG 1 0.352 -4.603 4.190 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -0.312 -2.589 3.164 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -1.067 -1.927 2.189 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 -2.013 4.376 0.347 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -2.420 3.214 1.254 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -1.363 2.109 1.291 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -0.624 1.942 -0.049 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -1.459 2.428 -1.241 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -1.828 3.909 -1.106 0.00 0.00 +0.033 C BRANCH 32 39 ATOM 38 C LIG 1 -2.632 6.641 -0.059 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -3.035 5.369 0.434 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 1 35 TORSDOF 5