REMARK Name = BDB041995 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.033 -1.331 1.950 0.00 0.00 +0.119 C ENDROOT BRANCH 1 9 ATOM 2 N LIG 1 5.770 -0.514 0.141 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.852 0.050 1.016 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.022 0.988 1.771 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.606 -0.710 0.872 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.790 -1.659 -0.132 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.762 -2.516 -0.480 0.00 0.00 +0.006 A ATOM 8 C LIG 1 1.545 -2.400 0.205 0.00 0.00 +0.005 A ATOM 9 C LIG 1 1.359 -1.433 1.223 0.00 0.00 -0.033 A ATOM 10 C LIG 1 2.416 -0.573 1.561 0.00 0.00 +0.018 A ATOM 11 C LIG 1 5.167 -1.544 -0.697 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 10.344 0.982 -2.473 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 9.397 0.790 -1.716 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.195 1.421 -1.912 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.143 1.969 -2.761 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.978 0.986 -1.437 0.00 0.00 +0.240 C ATOM 17 O LIG 1 5.943 1.277 -2.032 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 7.042 0.128 -0.163 0.00 0.00 +0.163 C ATOM 19 C LIG 1 8.183 -0.876 -0.300 0.00 0.00 +0.041 C ATOM 20 C LIG 1 9.490 -0.129 -0.520 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 9 BRANCH 1 21 ATOM 21 N LIG 1 -0.603 -0.014 1.815 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -1.780 0.119 2.696 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -3.127 -0.118 1.979 0.00 0.00 +0.100 C ATOM 24 N LIG 1 -3.395 0.853 0.889 0.00 0.00 -0.289 NA ATOM 25 C LIG 1 -2.115 1.301 0.283 0.00 0.00 +0.100 C ATOM 26 C LIG 1 -0.957 0.287 0.412 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 -4.347 0.305 -0.121 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 C LIG 1 -4.742 1.319 -1.205 0.00 0.00 -0.026 A ATOM 29 C LIG 1 -4.924 0.887 -2.530 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.300 1.788 -3.529 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.507 3.130 -3.218 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.342 3.573 -1.908 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.967 2.675 -0.908 0.00 0.00 +0.005 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -5.617 -0.296 0.498 0.00 0.00 -0.026 A ATOM 35 C LIG 1 -6.427 0.443 1.378 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.584 -0.116 1.924 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.951 -1.419 1.594 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.164 -2.164 0.719 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.006 -1.607 0.172 0.00 0.00 +0.005 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6