REMARK Name = BDB058137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.303 -1.626 0.874 0.00 0.00 +0.221 A ATOM 2 N LIG 1 1.647 -1.691 0.903 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 2.236 -2.841 1.294 0.00 0.00 +0.164 A ATOM 4 C LIG 1 1.474 -3.942 1.644 0.00 0.00 +0.181 A ATOM 5 F LIG 1 2.033 -5.092 2.044 0.00 0.00 -0.200 F ATOM 6 C LIG 1 0.113 -3.799 1.583 0.00 0.00 +0.156 A ATOM 7 N LIG 1 -0.490 -2.657 1.204 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -0.210 -0.398 0.471 0.00 0.00 -0.284 N ATOM 9 H LIG 1 0.559 0.233 0.292 0.00 0.00 +0.155 HD BRANCH 8 13 ATOM 10 C LIG 1 -4.059 1.281 -0.053 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -2.903 2.027 -0.294 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -1.642 1.448 -0.115 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -1.500 0.120 0.320 0.00 0.00 +0.034 A ATOM 14 C LIG 1 -2.668 -0.608 0.570 0.00 0.00 +0.024 A ATOM 15 C LIG 1 -3.938 -0.037 0.393 0.00 0.00 +0.015 A BRANCH 10 18 ATOM 16 N LIG 1 -6.432 1.116 -0.603 0.00 0.00 -0.308 N ATOM 17 H LIG 1 -6.280 0.124 -0.714 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 -5.380 1.938 -0.255 0.00 0.00 +0.244 C ATOM 19 O LIG 1 -5.485 3.154 -0.131 0.00 0.00 -0.270 OA BRANCH 16 24 ATOM 20 C LIG 1 -11.684 0.627 0.432 0.00 0.00 +0.104 C ATOM 21 N LIG 1 -10.349 0.245 -0.023 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 -9.314 0.573 0.968 0.00 0.00 +0.086 C ATOM 23 C LIG 1 -8.482 1.801 0.608 0.00 0.00 +0.037 C ATOM 24 C LIG 1 -7.792 1.628 -0.754 0.00 0.00 +0.076 C ATOM 25 C LIG 1 -8.598 0.729 -1.700 0.00 0.00 +0.037 C ATOM 26 C LIG 1 -10.085 0.785 -1.364 0.00 0.00 +0.086 C ENDBRANCH 16 24 ENDBRANCH 10 18 ENDBRANCH 8 13 ENDBRANCH 1 8 BRANCH 3 27 ATOM 27 N LIG 1 3.648 -2.974 1.321 0.00 0.00 -0.297 N ATOM 28 H LIG 1 3.929 -3.538 2.118 0.00 0.00 +0.154 HD BRANCH 27 29 ATOM 29 C LIG 1 4.646 -2.075 0.898 0.00 0.00 +0.032 A ATOM 30 C LIG 1 4.440 -1.117 -0.101 0.00 0.00 +0.024 A ATOM 31 C LIG 1 5.474 -0.272 -0.520 0.00 0.00 +0.015 A ATOM 32 C LIG 1 6.751 -0.391 0.035 0.00 0.00 +0.037 A ATOM 33 C LIG 1 6.979 -1.351 1.026 0.00 0.00 +0.015 A ATOM 34 C LIG 1 5.937 -2.190 1.439 0.00 0.00 +0.024 A BRANCH 32 35 ATOM 35 C LIG 1 7.824 0.529 -0.440 0.00 0.00 +0.248 C ATOM 36 N LIG 1 9.090 -0.022 -0.473 0.00 0.00 -0.280 N ATOM 37 H LIG 1 9.178 -1.014 -0.281 0.00 0.00 +0.155 HD ATOM 38 O LIG 1 7.509 1.661 -0.786 0.00 0.00 -0.270 OA BRANCH 36 39 ATOM 39 C LIG 1 10.304 0.607 -0.841 0.00 0.00 +0.052 A ATOM 40 C LIG 1 11.477 -0.171 -0.873 0.00 0.00 +0.062 A ATOM 41 CL LIG 1 11.438 -1.857 -0.471 0.00 0.00 -0.082 Cl ATOM 42 C LIG 1 12.707 0.391 -1.225 0.00 0.00 +0.022 A ATOM 43 C LIG 1 12.782 1.744 -1.550 0.00 0.00 +0.002 A ATOM 44 C LIG 1 11.630 2.527 -1.518 0.00 0.00 +0.002 A ATOM 45 C LIG 1 10.399 1.963 -1.165 0.00 0.00 +0.025 A ENDBRANCH 36 39 ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 3 27 TORSDOF 8