REMARK Name = BDB056475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.846 1.852 1.760 0.00 0.00 +0.060 C ATOM 2 C LIG 1 -3.707 2.608 2.702 0.00 0.00 +0.252 C ATOM 3 O LIG 1 -4.917 2.533 2.808 0.00 0.00 -0.270 OA ATOM 4 N LIG 1 -2.908 3.441 3.400 0.00 0.00 -0.248 N ATOM 5 H LIG 1 -3.247 4.138 4.042 0.00 0.00 +0.158 HD ATOM 6 C LIG 1 -1.661 3.437 2.885 0.00 0.00 +0.253 C ATOM 7 O LIG 1 -0.783 4.235 3.158 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.609 2.359 1.879 0.00 0.00 +0.078 C ENDROOT BRANCH 1 15 ATOM 9 N LIG 1 -4.603 -0.214 -0.608 0.00 0.00 -0.344 N ATOM 10 C LIG 1 -3.588 -1.100 -0.290 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -2.783 -0.473 0.673 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -1.682 -1.187 1.201 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -1.396 -2.475 0.743 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -2.196 -3.070 -0.223 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -3.327 0.826 0.902 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -3.302 -2.398 -0.750 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -4.448 0.947 0.112 0.00 0.00 +0.095 A BRANCH 9 19 ATOM 18 C LIG 1 -6.641 -1.550 -1.127 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.706 -0.417 -1.549 0.00 0.00 +0.081 C ATOM 20 C LIG 1 -5.226 -0.564 -2.993 0.00 0.00 +0.030 C ENDBRANCH 9 19 ENDBRANCH 1 15 BRANCH 8 21 ATOM 21 C LIG 1 -0.420 2.028 1.175 0.00 0.00 +0.108 A ATOM 22 C LIG 1 -0.244 2.131 -0.236 0.00 0.00 +0.047 A ATOM 23 C LIG 1 1.042 1.664 -0.467 0.00 0.00 +0.159 A ATOM 24 N LIG 1 1.671 1.551 -1.656 0.00 0.00 -0.236 NA ATOM 25 C LIG 1 0.909 1.961 -2.695 0.00 0.00 +0.113 A ATOM 26 C LIG 1 -0.388 2.453 -2.605 0.00 0.00 +0.020 A ATOM 27 N LIG 1 1.539 1.326 0.761 0.00 0.00 -0.246 N ATOM 28 C LIG 1 -0.993 2.547 -1.351 0.00 0.00 +0.015 A ATOM 29 N LIG 1 0.669 1.524 1.777 0.00 0.00 -0.169 NA BRANCH 27 30 ATOM 30 C LIG 1 2.845 0.754 1.029 0.00 0.00 +0.147 C BRANCH 30 31 ATOM 31 C LIG 1 2.803 -0.771 0.979 0.00 0.00 +0.039 C BRANCH 31 32 ATOM 32 C LIG 1 4.162 -1.405 1.292 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 N LIG 1 5.255 -0.941 0.426 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 5.074 -1.360 -0.983 0.00 0.00 +0.112 C ATOM 35 C LIG 1 6.271 -0.943 -1.854 0.00 0.00 +0.175 C ATOM 36 O LIG 1 7.498 -1.486 -1.349 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 7.711 -1.040 -0.004 0.00 0.00 +0.175 C ATOM 38 C LIG 1 6.552 -1.466 0.910 0.00 0.00 +0.112 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 8 21 TORSDOF 7