REMARK Name = BDB038897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.406 0.688 -0.590 0.00 0.00 +0.096 A ATOM 2 C LIG 1 3.384 -0.074 0.063 0.00 0.00 +0.074 A ATOM 3 N LIG 1 3.275 -1.208 0.839 0.00 0.00 -0.352 N ATOM 4 H LIG 1 2.403 -1.679 1.040 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 4.505 -1.622 1.291 0.00 0.00 +0.050 A ATOM 6 C LIG 1 5.449 -0.737 0.769 0.00 0.00 +0.046 A ATOM 7 C LIG 1 6.806 -0.950 1.080 0.00 0.00 +0.168 A ATOM 8 F LIG 1 7.751 -0.129 0.598 0.00 0.00 -0.202 F ATOM 9 C LIG 1 7.165 -2.022 1.894 0.00 0.00 +0.159 A ATOM 10 F LIG 1 8.454 -2.230 2.196 0.00 0.00 -0.202 F ATOM 11 C LIG 1 6.205 -2.890 2.404 0.00 0.00 +0.043 A ATOM 12 C LIG 1 4.850 -2.706 2.110 0.00 0.00 +0.029 A ATOM 13 C LIG 1 4.744 0.228 -0.016 0.00 0.00 +0.015 A ATOM 14 C LIG 1 5.143 1.330 -0.787 0.00 0.00 +0.045 A ATOM 15 CA LIG 1 4.138 2.032 -1.439 0.00 0.00 +0.149 A ATOM 16 N LIG 1 2.818 1.728 -1.358 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 -1.808 -0.111 -0.445 0.00 0.00 +0.051 A ATOM 18 C LIG 1 -1.186 0.178 -1.659 0.00 0.00 +0.025 A ATOM 19 C LIG 1 0.189 0.436 -1.695 0.00 0.00 +0.012 A ATOM 20 C LIG 1 0.967 0.420 -0.525 0.00 0.00 +0.003 A ATOM 21 C LIG 1 0.310 0.175 0.693 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -1.064 -0.088 0.733 0.00 0.00 +0.025 A BRANCH 17 24 ATOM 23 C LIG 1 -3.743 -1.409 -1.246 0.00 0.00 +0.157 C ATOM 24 N LIG 1 -3.227 -0.348 -0.347 0.00 0.00 -0.206 N BRANCH 24 25 ATOM 25 S LIG 1 -4.141 1.115 -0.362 0.00 0.00 +0.074 S ATOM 26 O LIG 1 -3.618 2.016 0.644 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 -4.294 1.530 -1.742 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 -5.730 0.569 0.225 0.00 0.00 +0.109 A ATOM 29 C LIG 1 -6.833 0.567 -0.633 0.00 0.00 +0.029 A ATOM 30 C LIG 1 -8.070 0.137 -0.152 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -8.200 -0.279 1.175 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.095 -0.264 2.029 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -5.855 0.164 1.558 0.00 0.00 +0.029 A ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 15 34 ATOM 34 C LIG 1 4.530 3.197 -2.288 0.00 0.00 +0.355 C ATOM 35 O LIG 1 5.666 3.613 -2.443 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 OXT LIG 1 3.487 3.784 -2.908 0.00 0.00 -0.476 OA ATOM 37 HXT LIG 1 3.880 4.525 -3.410 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 15 34 TORSDOF 6