REMARK Name = LIG001614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.517 -2.214 0.404 0.00 0.00 -0.027 A ATOM 2 C LIG 1 -2.252 -1.021 0.497 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -3.639 -1.058 0.699 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -4.327 -2.252 0.804 0.00 0.00 +0.100 A ATOM 5 N LIG 1 -5.708 -2.316 1.014 0.00 0.00 -0.131 NA ATOM 6 N LIG 1 -6.378 -1.265 1.081 0.00 0.00 -0.061 NA ATOM 7 N LIG 1 -5.795 -0.033 0.972 0.00 0.00 -0.198 N ATOM 8 C LIG 1 -3.602 -3.442 0.693 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -4.437 0.160 0.799 0.00 0.00 +0.278 A ATOM 10 O LIG 1 -3.892 1.258 0.727 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 -2.215 -3.427 0.487 0.00 0.00 +0.007 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -6.709 1.107 1.042 0.00 0.00 +0.199 C ATOM 13 C LIG 1 -6.727 1.856 -0.295 0.00 0.00 +0.244 C ATOM 14 O LIG 1 -6.534 1.318 -1.384 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -7.085 3.185 -0.235 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -7.107 3.674 -1.120 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -7.433 3.919 0.871 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -7.783 5.091 0.770 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -7.443 3.187 2.193 0.00 0.00 +0.099 C ATOM 20 C LIG 1 -6.427 2.055 2.207 0.00 0.00 +0.046 C ENDBRANCH 7 12 BRANCH 1 22 ATOM 21 C LIG 1 0.776 -3.230 0.891 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -0.018 -2.145 0.157 0.00 0.00 +0.102 C BRANCH 22 23 ATOM 23 N LIG 1 0.235 -2.189 -1.273 0.00 0.00 -0.293 N ATOM 24 H LIG 1 -0.444 -2.668 -1.853 0.00 0.00 +0.151 HD ATOM 25 C LIG 1 1.312 -1.787 -2.004 0.00 0.00 +0.304 C ATOM 26 N LIG 1 2.312 -1.164 -1.311 0.00 0.00 -0.269 N ATOM 27 H LIG 1 2.194 -1.086 -0.316 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 1.291 -2.021 -3.209 0.00 0.00 -0.252 OA BRANCH 26 29 ATOM 29 C LIG 1 3.519 -0.636 -1.818 0.00 0.00 +0.035 A ATOM 30 C LIG 1 4.421 -0.093 -0.887 0.00 0.00 +0.027 A ATOM 31 C LIG 1 5.660 0.467 -1.272 0.00 0.00 -0.040 A ATOM 32 C LIG 1 5.964 0.465 -2.641 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.075 -0.073 -3.575 0.00 0.00 +0.002 A ATOM 34 C LIG 1 3.859 -0.622 -3.166 0.00 0.00 +0.023 A BRANCH 31 35 ATOM 35 C LIG 1 6.615 1.040 -0.210 0.00 0.00 -0.013 C ATOM 36 C LIG 1 5.907 2.169 0.573 0.00 0.00 +0.015 C ATOM 37 C LIG 1 7.028 -0.078 0.772 0.00 0.00 +0.015 C ATOM 38 C LIG 1 7.915 1.638 -0.795 0.00 0.00 +0.015 C ENDBRANCH 31 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 5