REMARK Name = BDB039497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.352 -5.470 0.324 0.00 0.00 +0.150 C ATOM 2 N LIG 1 2.990 -4.210 0.624 0.00 0.00 -0.335 N ATOM 3 C LIG 1 2.358 -2.994 0.570 0.00 0.00 +0.141 A ATOM 4 C LIG 1 3.287 -2.018 0.917 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.862 -0.673 0.927 0.00 0.00 -0.021 A ATOM 6 C LIG 1 1.514 -0.451 0.586 0.00 0.00 +0.034 A ATOM 7 C LIG 1 0.668 -1.516 0.257 0.00 0.00 +0.074 A ATOM 8 C LIG 1 4.511 -2.695 1.181 0.00 0.00 +0.029 A ATOM 9 N LIG 1 1.067 -2.809 0.236 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 4.298 -4.045 0.996 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -0.749 -1.300 -0.107 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.559 -0.383 0.598 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -2.883 -0.216 0.220 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -3.929 0.684 0.783 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -5.113 0.324 0.015 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -4.812 -0.556 -1.015 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -5.533 -0.943 -1.914 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -3.407 -0.943 -0.845 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -2.660 -1.851 -1.565 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -1.327 -2.028 -1.182 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -6.335 1.119 0.087 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -6.302 2.282 -0.916 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -5.268 2.857 -1.255 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -7.526 2.749 -1.339 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -7.503 3.537 -1.970 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -8.769 2.359 -0.909 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -9.777 2.970 -1.254 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -8.820 1.213 0.074 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -7.614 0.300 -0.080 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 3.759 0.489 1.293 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 4.879 0.677 0.362 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 5.939 1.488 0.976 0.00 0.00 +0.087 C ATOM 33 C LIG 1 6.894 2.056 -0.068 0.00 0.00 +0.046 C ATOM 34 C LIG 1 6.157 3.021 -0.996 0.00 0.00 +0.117 C ATOM 35 C LIG 1 4.688 2.643 -1.189 0.00 0.00 +0.046 C ATOM 36 C LIG 1 4.471 1.146 -0.973 0.00 0.00 +0.087 C BRANCH 34 37 ATOM 37 O LIG 1 6.807 3.051 -2.266 0.00 0.00 -0.392 OA ATOM 38 H LIG 1 7.745 3.260 -2.114 0.00 0.00 +0.210 HD ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 5