REMARK Name = BDB034197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.206 0.398 -0.573 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.077 -0.295 0.623 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.774 -1.191 1.058 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.887 0.237 1.295 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.292 1.168 0.447 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.133 1.816 0.830 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.575 1.490 2.070 0.00 0.00 +0.121 A ATOM 8 C LIG 1 1.200 0.569 2.932 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.372 -0.081 2.538 0.00 0.00 +0.017 A ATOM 10 C LIG 1 3.067 1.272 -0.821 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 7.646 -2.419 -3.826 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 6.920 -1.726 -3.119 0.00 0.00 +0.219 C ATOM 13 N LIG 1 5.576 -1.984 -3.020 0.00 0.00 -0.255 N ATOM 14 H LIG 1 5.241 -2.789 -3.532 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 4.614 -1.233 -2.384 0.00 0.00 +0.240 C ATOM 16 O LIG 1 3.423 -1.518 -2.508 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.117 0.018 -1.647 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.563 -0.172 -1.190 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.431 -0.503 -2.393 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -0.568 2.156 2.416 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.673 1.295 2.765 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.857 1.508 1.772 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -4.099 0.682 2.200 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -4.154 0.355 3.693 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -3.545 1.463 4.530 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -2.068 1.663 4.207 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -2.419 1.386 0.364 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -3.508 1.427 -0.631 0.00 0.00 +0.094 C ATOM 29 C LIG 1 -2.701 0.379 -1.457 0.00 0.00 +0.050 C ATOM 30 C LIG 1 -2.078 0.019 -0.073 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 -3.464 -0.750 -2.266 0.00 0.00 -0.007 A ATOM 32 C LIG 1 -4.699 -0.517 -2.902 0.00 0.00 +0.130 A ATOM 33 F LIG 1 -5.254 0.701 -2.818 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -5.376 -1.496 -3.623 0.00 0.00 +0.077 A ATOM 35 C LIG 1 -4.814 -2.756 -3.731 0.00 0.00 +0.126 A ATOM 36 F LIG 1 -5.452 -3.709 -4.422 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -3.594 -3.043 -3.136 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -2.927 -2.047 -2.415 0.00 0.00 +0.009 A ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5