REMARK Name = BDB017372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.765 -0.035 0.131 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.191 -1.261 0.464 0.00 0.00 +0.063 A ATOM 3 C LIG 1 0.823 -1.338 0.723 0.00 0.00 +0.146 A ATOM 4 F LIG 1 0.286 -2.529 1.034 0.00 0.00 -0.203 F ATOM 5 C LIG 1 -0.006 -0.210 0.685 0.00 0.00 +0.067 A ATOM 6 C LIG 1 0.570 1.011 0.328 0.00 0.00 +0.028 A ATOM 7 C LIG 1 1.943 1.099 0.064 0.00 0.00 +0.025 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 4.949 -2.040 -0.089 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.113 -0.832 -0.206 0.00 0.00 +0.248 C ATOM 10 N LIG 1 4.137 0.146 -0.145 0.00 0.00 -0.281 N ATOM 11 H LIG 1 4.414 1.088 -0.390 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 6.488 -0.333 -0.483 0.00 0.00 +0.040 A ATOM 13 C LIG 1 7.331 -1.116 -1.276 0.00 0.00 +0.051 A ATOM 14 C LIG 1 8.619 -0.671 -1.546 0.00 0.00 +0.124 A ATOM 15 F LIG 1 9.426 -1.414 -2.315 0.00 0.00 -0.205 F ATOM 16 C LIG 1 9.087 0.534 -1.032 0.00 0.00 +0.038 A ATOM 17 C LIG 1 8.256 1.309 -0.223 0.00 0.00 +0.004 A ATOM 18 C LIG 1 6.957 0.876 0.056 0.00 0.00 +0.013 A ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 5 19 ATOM 19 N LIG 1 -1.398 -0.352 0.902 0.00 0.00 -0.312 N ATOM 20 H LIG 1 -1.600 -1.289 1.258 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.287 0.587 1.491 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -3.650 0.655 1.119 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -4.450 1.512 1.892 0.00 0.00 +0.143 A ATOM 24 N LIG 1 -5.811 1.602 1.648 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -6.344 2.210 2.251 0.00 0.00 +0.170 HD ATOM 26 C LIG 1 -6.473 0.893 0.701 0.00 0.00 +0.254 A ATOM 27 C LIG 1 -5.643 0.017 -0.177 0.00 0.00 +0.021 A ATOM 28 C LIG 1 -6.416 -0.711 -1.248 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -5.604 -1.797 -1.948 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -4.208 -1.289 -2.266 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -3.471 -0.879 -0.987 0.00 0.00 +0.036 C ATOM 32 O LIG 1 -7.688 0.984 0.562 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -4.020 2.274 2.921 0.00 0.00 -0.237 NA ATOM 34 C LIG 1 -2.721 2.179 3.242 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -4.304 -0.077 -0.010 0.00 0.00 -0.027 A ATOM 36 C LIG 1 -1.836 1.353 2.580 0.00 0.00 +0.043 A ENDBRANCH 19 21 ENDBRANCH 5 19 TORSDOF 4