REMARK Name = BDB055174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.231 1.043 2.107 0.00 0.00 +0.090 C ATOM 2 C LIG 1 0.041 0.331 1.605 0.00 0.00 +0.034 C ATOM 3 C LIG 1 1.032 1.330 0.970 0.00 0.00 +0.072 C ATOM 4 C LIG 1 0.323 2.089 -0.191 0.00 0.00 +0.099 C ATOM 5 N LIG 1 -1.120 2.326 -0.006 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 -1.373 3.204 -0.463 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 -1.479 2.392 1.415 0.00 0.00 +0.093 C ENDROOT BRANCH 3 8 ATOM 8 N LIG 1 2.337 0.708 0.657 0.00 0.00 -0.283 NA ATOM 9 C LIG 1 3.496 1.582 0.366 0.00 0.00 +0.033 C ATOM 10 C LIG 1 3.598 2.776 1.342 0.00 0.00 +0.029 C ATOM 11 C LIG 1 3.545 2.140 -1.074 0.00 0.00 +0.029 C ATOM 12 C LIG 1 4.753 0.703 0.612 0.00 0.00 +0.135 C ATOM 13 N LIG 1 4.772 -0.526 -0.177 0.00 0.00 -0.267 N ATOM 14 C LIG 1 3.593 -1.183 -0.513 0.00 0.00 +0.234 C ATOM 15 O LIG 1 3.574 -2.264 -1.111 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 2.261 -0.468 -0.237 0.00 0.00 +0.181 C BRANCH 13 17 ATOM 17 C LIG 1 6.015 -1.223 -0.221 0.00 0.00 +0.055 A ATOM 18 C LIG 1 6.252 -2.429 0.463 0.00 0.00 +0.062 A ATOM 19 CL LIG 1 5.109 -3.117 1.566 0.00 0.00 -0.082 Cl ATOM 20 C LIG 1 7.494 -3.064 0.353 0.00 0.00 +0.022 A ATOM 21 C LIG 1 8.506 -2.503 -0.425 0.00 0.00 +0.002 A ATOM 22 C LIG 1 8.286 -1.298 -1.088 0.00 0.00 +0.002 A ATOM 23 C LIG 1 7.049 -0.658 -0.982 0.00 0.00 +0.025 A ENDBRANCH 13 17 ENDBRANCH 3 8 BRANCH 1 26 ATOM 24 N LIG 1 -2.806 -0.113 0.648 0.00 0.00 -0.308 N ATOM 25 H LIG 1 -2.388 0.499 -0.051 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 -2.453 0.146 1.954 0.00 0.00 +0.218 C ATOM 27 O LIG 1 -3.052 -0.310 2.923 0.00 0.00 -0.275 OA BRANCH 24 28 ATOM 28 C LIG 1 -4.054 -0.779 0.304 0.00 0.00 +0.105 C BRANCH 28 29 ATOM 29 C LIG 1 -5.120 0.280 0.123 0.00 0.00 -0.009 A ATOM 30 C LIG 1 -6.056 0.505 1.132 0.00 0.00 +0.116 A ATOM 31 N LIG 1 -7.037 1.435 1.071 0.00 0.00 -0.263 NA ATOM 32 C LIG 1 -7.083 2.197 -0.041 0.00 0.00 +0.111 A ATOM 33 C LIG 1 -6.188 2.078 -1.090 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -5.191 1.111 -1.001 0.00 0.00 +0.008 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -3.816 -1.700 -0.914 0.00 0.00 +0.030 C BRANCH 35 37 ATOM 36 C LIG 1 -6.239 -2.311 -1.520 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -4.859 -2.822 -1.111 0.00 0.00 -0.015 C ATOM 38 C LIG 1 -4.352 -3.806 -2.171 0.00 0.00 +0.007 C ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 24 28 ENDBRANCH 1 26 TORSDOF 7