REMARK Name = BDB021259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.204 -1.518 2.031 0.00 0.00 +0.159 A ATOM 2 N LIG 1 0.964 -1.412 1.322 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.618 -0.957 0.128 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -0.746 -0.733 0.067 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.388 -0.240 -1.081 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -0.699 -0.020 -2.164 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 0.661 -0.241 -2.116 0.00 0.00 +0.126 A ATOM 8 C LIG 1 1.381 -0.684 -1.058 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -1.280 -1.119 1.275 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 2.809 -0.864 -1.143 0.00 0.00 +0.025 A ATOM 11 C LIG 1 3.685 -0.997 -0.086 0.00 0.00 +0.117 A ATOM 12 N LIG 1 4.932 -1.136 -0.627 0.00 0.00 -0.266 N ATOM 13 N LIG 1 4.931 -1.117 -1.976 0.00 0.00 -0.179 NA ATOM 14 C LIG 1 3.642 -0.949 -2.284 0.00 0.00 +0.143 A BRANCH 12 15 ATOM 15 C LIG 1 6.179 -1.324 0.100 0.00 0.00 +0.180 C BRANCH 15 16 ATOM 16 C LIG 1 6.726 -0.019 0.604 0.00 0.00 -0.008 A ATOM 17 C LIG 1 7.193 0.950 -0.281 0.00 0.00 +0.116 A ATOM 18 N LIG 1 7.707 2.141 0.102 0.00 0.00 -0.263 NA ATOM 19 C LIG 1 7.754 2.385 1.429 0.00 0.00 +0.111 A ATOM 20 C LIG 1 7.314 1.492 2.391 0.00 0.00 +0.020 A ATOM 21 C LIG 1 6.793 0.272 1.970 0.00 0.00 +0.008 A ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 8 10 BRANCH 1 23 ATOM 22 N LIG 1 -0.281 -2.392 4.471 0.00 0.00 -0.189 NA ATOM 23 C LIG 1 -0.226 -2.005 3.377 0.00 0.00 +0.121 C ENDBRANCH 1 23 BRANCH 5 24 ATOM 24 N LIG 1 -2.748 -0.012 -1.089 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.016 0.126 -2.065 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.281 1.118 -0.329 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -4.753 1.266 -0.591 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -5.681 0.279 -0.268 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.481 -1.077 0.299 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -6.932 -1.425 0.636 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -7.811 -0.619 -0.181 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -7.033 0.451 -0.539 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -7.528 1.595 -1.132 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -6.621 2.604 -1.450 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -5.256 2.435 -1.177 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -4.416 3.429 -1.500 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 5 24 TORSDOF 7