REMARK Name = LIG001899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.729 -3.662 1.279 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -2.890 -2.664 0.706 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -3.757 -1.757 0.126 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -3.317 -0.619 -0.556 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.919 -0.497 -0.600 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -1.083 -1.440 0.019 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -5.009 -2.244 0.396 0.00 0.00 -0.273 N ATOM 8 H LIG 1 -5.891 -1.809 0.143 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -1.540 -2.532 0.675 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 -5.022 -3.393 1.099 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.390 -1.313 -0.020 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.027 -0.070 0.190 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.411 -0.002 0.143 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.314 1.172 0.316 0.00 0.00 +0.144 C ATOM 15 N LIG 1 4.640 0.574 0.239 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.582 -0.767 -0.110 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.497 -1.516 -0.390 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.164 -1.144 -0.111 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.591 -2.381 -0.319 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.196 -2.457 -0.265 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 5.839 1.399 0.138 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.146 1.755 -1.326 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.276 1.903 -2.184 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.462 2.029 -1.616 0.00 0.00 -0.255 N ATOM 25 H LIG 1 7.657 2.299 -2.571 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.518 2.109 -0.744 0.00 0.00 +0.219 C ATOM 27 O LIG 1 9.614 2.522 -1.113 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.236 1.757 0.698 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.068 0.790 0.812 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 -3.279 -4.741 1.944 0.00 0.00 -0.340 N ATOM 31 H LIG 1 -2.328 -4.716 2.298 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 -3.941 -5.202 2.555 0.00 0.00 +0.144 HD ENDBRANCH 1 30 BRANCH 4 33 ATOM 33 C LIG 1 -4.219 0.354 -1.274 0.00 0.00 +0.122 C BRANCH 33 34 ATOM 34 N LIG 1 -5.509 0.548 -0.603 0.00 0.00 -0.295 NA ATOM 35 C LIG 1 -5.403 1.335 0.643 0.00 0.00 +0.121 C ATOM 36 C LIG 1 -6.790 1.947 0.841 0.00 0.00 +0.181 C ATOM 37 F LIG 1 -7.428 1.356 1.882 0.00 0.00 -0.244 F ATOM 38 C LIG 1 -7.546 1.657 -0.444 0.00 0.00 +0.053 C ATOM 39 C LIG 1 -6.455 1.296 -1.436 0.00 0.00 +0.087 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 5