REMARK Name = BDB042147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.563 -1.393 2.406 0.00 0.00 +0.120 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.680 -0.025 -0.597 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.186 1.068 0.092 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.665 2.180 0.184 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.955 0.631 0.760 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.792 -0.731 0.518 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.705 -1.409 1.042 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.774 -0.692 1.817 0.00 0.00 -0.033 A ATOM 9 C LIG 1 1.964 0.693 2.044 0.00 0.00 +0.005 A ATOM 10 C LIG 1 3.066 1.368 1.516 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.923 -1.237 -0.312 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 9.636 3.109 -1.068 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.821 2.192 -1.148 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.933 1.091 -0.340 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.672 1.133 0.347 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.108 -0.001 -0.265 0.00 0.00 +0.240 C ATOM 17 O LIG 1 8.268 -0.848 0.615 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.968 -0.086 -1.279 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.134 0.859 -2.466 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.658 2.238 -2.106 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.677 -0.913 1.793 0.00 0.00 -0.290 NA ATOM 22 C LIG 1 -1.008 -1.593 0.489 0.00 0.00 +0.073 C ATOM 23 C LIG 1 -2.079 -0.743 -0.249 0.00 0.00 +0.104 C ATOM 24 N LIG 1 -3.387 -0.774 0.470 0.00 0.00 -0.289 NA ATOM 25 C LIG 1 -3.151 -0.762 1.944 0.00 0.00 +0.104 C ATOM 26 C LIG 1 -1.639 -2.754 1.308 0.00 0.00 +0.040 C ATOM 27 C LIG 1 -1.904 -1.608 2.324 0.00 0.00 +0.073 C BRANCH 24 28 ATOM 28 C LIG 1 -4.276 0.344 0.044 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -5.621 0.371 0.784 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -6.106 1.582 1.308 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.335 1.632 1.970 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.098 0.476 2.115 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.636 -0.732 1.597 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.409 -0.784 0.934 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.518 0.388 -1.471 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -4.886 -0.758 -2.196 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.117 -0.691 -3.572 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.989 0.523 -4.242 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.632 1.671 -3.538 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.401 1.606 -2.163 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 24 28 ENDBRANCH 1 21 TORSDOF 6