REMARK Name = LIG000737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 3.127 -0.336 1.607 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 7 ATOM 2 N LIG 1 6.882 -0.292 -0.460 0.00 0.00 -0.281 N ATOM 3 C LIG 1 6.965 -1.667 -0.609 0.00 0.00 +0.248 C ATOM 4 O LIG 1 7.856 -2.312 -1.126 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 5.747 -2.233 -0.020 0.00 0.00 +0.045 A ATOM 6 C LIG 1 4.993 -1.187 0.509 0.00 0.00 +0.024 A ATOM 7 C LIG 1 3.781 -1.433 1.130 0.00 0.00 +0.126 A ATOM 8 C LIG 1 3.341 -2.761 1.188 0.00 0.00 +0.046 A ATOM 9 C LIG 1 4.116 -3.810 0.648 0.00 0.00 +0.004 A ATOM 10 C LIG 1 5.341 -3.550 0.035 0.00 0.00 +0.013 A ATOM 11 C LIG 1 5.704 0.109 0.305 0.00 0.00 +0.148 C BRANCH 2 18 ATOM 12 O LIG 1 6.163 3.663 -3.004 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 6.795 2.780 -2.430 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.311 2.988 -1.177 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.129 3.899 -0.778 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.787 2.041 -0.301 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.931 2.318 0.888 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 7.959 0.618 -0.852 0.00 0.00 +0.163 C ATOM 19 C LIG 1 8.145 0.678 -2.372 0.00 0.00 +0.041 C ATOM 20 C LIG 1 6.977 1.404 -3.021 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 C LIG 1 1.988 -0.535 2.452 0.00 0.00 +0.264 C BRANCH 21 22 ATOM 22 C LIG 1 0.700 -0.733 1.685 0.00 0.00 -0.010 A ATOM 23 C LIG 1 0.475 -0.091 0.461 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -0.732 -0.262 -0.221 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -1.747 -1.067 0.314 0.00 0.00 -0.033 A ATOM 26 C LIG 1 -1.530 -1.696 1.547 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -0.322 -1.526 2.228 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 C LIG 1 -3.051 -1.254 -0.432 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 N LIG 1 -3.784 0.003 -0.651 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -4.208 0.612 0.632 0.00 0.00 +0.103 C ATOM 31 C LIG 1 -5.478 1.489 0.537 0.00 0.00 +0.120 C ATOM 32 N LIG 1 -6.620 0.686 0.069 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -6.306 -0.414 -0.858 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -4.941 -0.195 -1.551 0.00 0.00 +0.103 C BRANCH 32 35 ATOM 35 C LIG 1 -7.931 1.061 0.316 0.00 0.00 +0.030 A ATOM 36 C LIG 1 -8.996 0.158 0.161 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -10.325 0.522 0.414 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -10.625 1.812 0.834 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -9.596 2.729 1.002 0.00 0.00 +0.002 A ATOM 40 C LIG 1 -8.270 2.353 0.749 0.00 0.00 +0.023 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7