REMARK Name = BDB007041 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.126 1.577 2.619 0.00 0.00 +0.181 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.906 1.247 1.523 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.375 -0.057 1.486 0.00 0.00 -0.268 N ATOM 4 C LIG 1 2.147 -0.608 0.448 0.00 0.00 +0.059 A ATOM 5 C LIG 1 2.547 -1.901 0.754 0.00 0.00 +0.070 A ATOM 6 N LIG 1 3.280 -2.692 -0.053 0.00 0.00 -0.257 NA ATOM 7 C LIG 1 3.623 -2.143 -1.244 0.00 0.00 +0.120 A ATOM 8 C LIG 1 3.276 -0.851 -1.647 0.00 0.00 +0.040 A ATOM 9 C LIG 1 2.080 -2.311 2.133 0.00 0.00 +0.025 C ATOM 10 C LIG 1 1.264 -3.604 2.087 0.00 0.00 +0.019 C ATOM 11 C LIG 1 3.274 -2.456 3.081 0.00 0.00 +0.019 C ATOM 12 C LIG 1 2.508 -0.067 -0.771 0.00 0.00 +0.036 A ATOM 13 C LIG 1 1.198 -1.097 2.520 0.00 0.00 +0.126 C ATOM 14 O LIG 1 1.281 2.116 0.733 0.00 0.00 -0.274 OA BRANCH 8 15 ATOM 15 C LIG 1 3.712 -0.327 -2.990 0.00 0.00 +0.275 C ATOM 16 F LIG 1 4.197 -1.313 -3.803 0.00 0.00 -0.200 F ATOM 17 F LIG 1 2.653 0.200 -3.675 0.00 0.00 -0.200 F BRANCH 15 18 ATOM 18 C LIG 1 4.779 0.769 -2.899 0.00 0.00 +0.077 C ATOM 19 C LIG 1 6.093 0.296 -2.294 0.00 0.00 +0.010 C ENDBRANCH 15 18 ENDBRANCH 8 15 ENDBRANCH 1 2 BRANCH 1 21 ATOM 20 C LIG 1 -2.049 1.613 0.995 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.330 2.264 2.114 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.136 3.712 1.916 0.00 0.00 +0.103 C ATOM 23 C LIG 1 -1.638 4.349 0.587 0.00 0.00 +0.065 C ATOM 24 C LIG 1 -0.603 4.253 -0.540 0.00 0.00 +0.025 C ATOM 25 N LIG 1 -2.942 3.861 0.111 0.00 0.00 -0.311 NA ATOM 26 H LIG 1 -2.977 3.900 -0.907 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -3.255 2.496 0.558 0.00 0.00 +0.101 C BRANCH 20 28 ATOM 28 C LIG 1 -2.576 0.193 1.368 0.00 0.00 +0.105 C BRANCH 28 30 ATOM 29 C LIG 1 -2.151 -1.000 -0.761 0.00 0.00 +0.082 C ATOM 30 N LIG 1 -3.161 -0.578 0.249 0.00 0.00 -0.294 NA ATOM 31 C LIG 1 -3.901 -1.742 0.774 0.00 0.00 +0.113 C ATOM 32 C LIG 1 -4.419 -2.643 -0.355 0.00 0.00 +0.175 C ATOM 33 O LIG 1 -3.410 -3.109 -1.257 0.00 0.00 -0.377 OA ATOM 34 C LIG 1 -2.127 -2.531 -1.022 0.00 0.00 +0.178 C BRANCH 29 36 ATOM 35 C LIG 1 -3.666 -0.326 -2.774 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.322 -0.197 -2.072 0.00 0.00 +0.018 C ENDBRANCH 29 36 ENDBRANCH 28 30 ENDBRANCH 20 28 ENDBRANCH 1 21 TORSDOF 7