REMARK Name = BDB021409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.389 -0.171 -2.560 0.00 0.00 +0.017 C ATOM 2 C LIG 1 -0.997 -0.616 -1.135 0.00 0.00 +0.007 C ATOM 3 C LIG 1 -1.732 0.158 -0.044 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -1.080 0.441 1.175 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.739 1.153 2.191 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -3.055 1.577 2.016 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -3.721 1.265 0.832 0.00 0.00 +0.037 A ATOM 8 C LIG 1 0.314 -0.023 1.434 0.00 0.00 +0.247 C ATOM 9 O LIG 1 0.821 0.123 2.543 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 0.997 -0.604 0.372 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -3.067 0.574 -0.196 0.00 0.00 +0.018 A ATOM 12 C LIG 1 0.523 -0.375 -0.985 0.00 0.00 +0.119 C ATOM 13 C LIG 1 -1.317 -2.116 -0.981 0.00 0.00 +0.017 C ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 -5.122 1.702 0.665 0.00 0.00 +0.247 C ATOM 15 N LIG 1 -6.068 0.736 0.425 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -6.010 -0.711 0.691 0.00 0.00 +0.134 C ATOM 17 C LIG 1 -7.416 -0.968 1.283 0.00 0.00 +0.171 C ATOM 18 C LIG 1 -8.099 -0.354 0.074 0.00 0.00 +0.171 C ATOM 19 O LIG 1 -7.524 -1.009 -1.076 0.00 0.00 -0.370 OA ATOM 20 O LIG 1 -7.745 -0.122 2.404 0.00 0.00 -0.370 OA ATOM 21 C LIG 1 -7.975 1.200 1.826 0.00 0.00 +0.185 C ATOM 22 C LIG 1 -6.186 -1.409 -0.657 0.00 0.00 +0.185 C ATOM 23 C LIG 1 -7.504 1.036 0.380 0.00 0.00 +0.134 C ATOM 24 O LIG 1 -5.387 2.896 0.755 0.00 0.00 -0.270 OA ENDBRANCH 7 14 BRANCH 10 25 ATOM 25 C LIG 1 2.404 -0.998 0.554 0.00 0.00 +0.141 C BRANCH 25 26 ATOM 26 C LIG 1 3.370 0.210 0.605 0.00 0.00 +0.149 C BRANCH 26 27 ATOM 27 C LIG 1 4.814 -0.198 0.211 0.00 0.00 +0.088 C ATOM 28 N LIG 1 4.871 -0.649 -1.201 0.00 0.00 -0.307 NA ATOM 29 H LIG 1 4.774 0.172 -1.801 0.00 0.00 +0.123 HD ATOM 30 C LIG 1 6.195 -1.227 -1.473 0.00 0.00 +0.117 C ATOM 31 C LIG 1 7.332 -0.297 -1.127 0.00 0.00 -0.030 A ATOM 32 C LIG 1 7.156 0.731 -0.183 0.00 0.00 -0.041 A ATOM 33 C LIG 1 8.232 1.567 0.144 0.00 0.00 +0.004 A ATOM 34 C LIG 1 9.481 1.370 -0.445 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.663 0.341 -1.366 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.595 -0.491 -1.703 0.00 0.00 +0.005 A ATOM 37 C LIG 1 5.801 0.972 0.442 0.00 0.00 +0.056 C ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 O LIG 1 3.392 0.777 1.923 0.00 0.00 -0.389 OA ATOM 39 H LIG 1 2.496 0.663 2.312 0.00 0.00 +0.210 HD ENDBRANCH 26 38 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 5