REMARK Name = BDB056305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.459 -0.907 -2.265 0.00 0.00 +0.039 A ATOM 2 C LIG 1 0.755 -0.785 -1.062 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.488 -0.141 -1.036 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -0.990 0.393 -2.244 0.00 0.00 +0.058 A ATOM 5 C LIG 1 -0.283 0.265 -3.447 0.00 0.00 +0.015 A ATOM 6 C LIG 1 0.938 -0.405 -3.461 0.00 0.00 +0.014 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 2.812 -2.668 -2.916 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.757 -1.611 -2.297 0.00 0.00 +0.247 C ATOM 9 N LIG 1 3.842 -1.030 -1.639 0.00 0.00 -0.297 N ATOM 10 C LIG 1 3.846 0.369 -1.206 0.00 0.00 +0.109 C ATOM 11 C LIG 1 5.230 0.875 -0.808 0.00 0.00 +0.038 C ATOM 12 C LIG 1 5.891 -0.122 0.154 0.00 0.00 +0.060 C ATOM 13 C LIG 1 5.980 -1.531 -0.470 0.00 0.00 +0.038 C ATOM 14 C LIG 1 5.132 -1.700 -1.729 0.00 0.00 +0.109 C BRANCH 12 15 ATOM 15 N LIG 1 7.140 0.414 0.711 0.00 0.00 -0.299 NA ATOM 16 C LIG 1 7.747 -0.409 1.754 0.00 0.00 +0.085 C ATOM 17 C LIG 1 9.065 0.306 1.985 0.00 0.00 +0.017 C ATOM 18 C LIG 1 9.468 0.805 0.605 0.00 0.00 +0.017 C ATOM 19 C LIG 1 8.203 0.723 -0.244 0.00 0.00 +0.085 C ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 4 20 ATOM 20 C LIG 1 -2.232 1.192 -2.264 0.00 0.00 +0.248 C ATOM 21 N LIG 1 -3.437 0.558 -1.964 0.00 0.00 -0.297 N ATOM 22 C LIG 1 -4.649 1.359 -1.931 0.00 0.00 +0.109 C ATOM 23 C LIG 1 -5.556 0.950 -0.772 0.00 0.00 +0.038 C ATOM 24 C LIG 1 -5.458 -0.550 -0.386 0.00 0.00 +0.060 C ATOM 25 C LIG 1 -5.025 -1.340 -1.636 0.00 0.00 +0.038 C ATOM 26 C LIG 1 -3.634 -0.887 -2.091 0.00 0.00 +0.109 C ATOM 27 O LIG 1 -2.124 2.393 -2.497 0.00 0.00 -0.270 OA BRANCH 24 28 ATOM 28 N LIG 1 -6.741 -1.028 0.192 0.00 0.00 -0.299 NA ATOM 29 C LIG 1 -7.134 -0.284 1.407 0.00 0.00 +0.085 C ATOM 30 C LIG 1 -6.374 -0.929 2.558 0.00 0.00 +0.017 C ATOM 31 C LIG 1 -6.080 -2.344 2.084 0.00 0.00 +0.017 C ATOM 32 C LIG 1 -6.684 -2.418 0.688 0.00 0.00 +0.085 C ENDBRANCH 24 28 ENDBRANCH 4 20 BRANCH 3 33 ATOM 33 N LIG 1 -1.157 0.013 0.202 0.00 0.00 -0.339 N ATOM 34 H LIG 1 -2.146 0.206 0.030 0.00 0.00 +0.146 HD BRANCH 33 35 ATOM 35 C LIG 1 -0.610 1.108 1.008 0.00 0.00 +0.137 C BRANCH 35 36 ATOM 36 C LIG 1 -1.672 1.551 1.987 0.00 0.00 -0.030 A ATOM 37 C LIG 1 -1.823 0.901 3.221 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -2.842 1.277 4.097 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.723 2.300 3.748 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.587 2.947 2.521 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -2.570 2.572 1.642 0.00 0.00 +0.005 A ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 3 33 TORSDOF 7