REMARK Name = LIG000959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.228 2.209 -0.518 0.00 0.00 -0.280 N ATOM 2 C LIG 1 -2.671 0.973 -0.250 0.00 0.00 +0.172 A ATOM 3 C LIG 1 -1.312 1.201 -0.147 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -0.506 0.086 0.124 0.00 0.00 +0.152 A ATOM 5 N LIG 1 -1.122 -1.117 0.256 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 -2.463 -1.235 0.145 0.00 0.00 +0.222 A ATOM 7 N LIG 1 -1.006 2.527 -0.352 0.00 0.00 -0.230 NA ATOM 8 N LIG 1 -3.292 -0.210 -0.116 0.00 0.00 -0.194 NA ATOM 9 C LIG 1 -2.172 3.098 -0.565 0.00 0.00 +0.206 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -7.506 4.547 -1.345 0.00 0.00 +0.172 C ATOM 11 N LIG 1 -6.491 3.558 -1.076 0.00 0.00 -0.272 N ATOM 12 N LIG 1 -6.850 2.274 -0.895 0.00 0.00 -0.178 NA ATOM 13 C LIG 1 -5.691 1.646 -0.673 0.00 0.00 +0.160 A ATOM 14 C LIG 1 -4.595 2.528 -0.710 0.00 0.00 +0.087 A ATOM 15 C LIG 1 -5.144 3.765 -0.975 0.00 0.00 +0.134 A ENDBRANCH 1 14 BRANCH 6 16 ATOM 16 N LIG 1 -3.016 -2.496 0.273 0.00 0.00 -0.295 N ATOM 17 C LIG 1 -2.246 -3.542 0.957 0.00 0.00 +0.136 C ATOM 18 C LIG 1 -3.074 -4.137 2.109 0.00 0.00 +0.179 C ATOM 19 O LIG 1 -4.330 -4.698 1.696 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 -4.887 -4.060 0.536 0.00 0.00 +0.179 C ATOM 21 C LIG 1 -4.474 -2.589 0.383 0.00 0.00 +0.136 C ENDBRANCH 6 16 BRANCH 4 22 ATOM 22 N LIG 1 0.880 0.201 0.265 0.00 0.00 -0.323 N ATOM 23 H LIG 1 1.201 1.084 -0.129 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 1.628 -0.963 -0.171 0.00 0.00 +0.138 C BRANCH 24 25 ATOM 25 C LIG 1 3.106 -0.654 -0.107 0.00 0.00 -0.030 A ATOM 26 C LIG 1 3.860 -0.502 -1.274 0.00 0.00 +0.006 A ATOM 27 C LIG 1 5.228 -0.211 -1.202 0.00 0.00 +0.010 A ATOM 28 C LIG 1 5.886 -0.053 0.032 0.00 0.00 +0.000 A ATOM 29 C LIG 1 5.113 -0.212 1.196 0.00 0.00 +0.010 A ATOM 30 C LIG 1 3.745 -0.504 1.129 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 7.330 0.262 0.080 0.00 0.00 +0.071 A ATOM 32 N LIG 1 8.076 -0.226 -0.946 0.00 0.00 -0.255 NA ATOM 33 C LIG 1 9.403 0.030 -0.946 0.00 0.00 +0.111 A ATOM 34 C LIG 1 10.045 0.766 0.032 0.00 0.00 +0.020 A ATOM 35 C LIG 1 9.280 1.272 1.073 0.00 0.00 +0.004 A ATOM 36 C LIG 1 7.909 1.020 1.099 0.00 0.00 +0.028 A ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 4 22 TORSDOF 6