REMARK Name = BDB031895 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.716 2.020 1.646 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.288 2.216 0.319 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.005 1.788 -0.042 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.117 1.203 0.850 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.053 0.911 0.078 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.892 1.296 -1.191 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.523 1.042 2.188 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.340 1.816 -1.234 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.674 2.175 -2.120 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.812 1.454 2.562 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.832 -1.182 -0.945 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.554 -0.376 0.165 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.369 0.720 0.423 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.352 1.788 1.481 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.110 2.428 2.070 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.556 2.643 1.158 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.149 2.102 0.031 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.979 2.490 -0.388 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.915 3.624 1.788 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.966 1.492 2.901 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.466 0.969 -0.417 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.782 0.183 -1.502 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.946 -0.904 -1.762 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -2.842 -2.457 -0.699 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.101 -2.272 -1.337 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.143 0.337 0.634 0.00 0.00 -0.278 N ATOM 27 H LIG 1 2.126 0.096 1.619 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.298 -0.205 0.027 0.00 0.00 +0.187 A ATOM 29 C LIG 1 4.374 -0.601 0.849 0.00 0.00 +0.257 A ATOM 30 N LIG 1 5.536 -1.109 0.374 0.00 0.00 -0.206 NA ATOM 31 C LIG 1 5.634 -1.215 -0.975 0.00 0.00 +0.122 A ATOM 32 C LIG 1 4.580 -0.823 -1.790 0.00 0.00 +0.144 A ATOM 33 N LIG 1 3.415 -0.325 -1.315 0.00 0.00 -0.233 NA BRANCH 31 34 ATOM 34 P LIG 1 7.125 -1.852 -1.689 0.00 0.00 +0.129 P ATOM 35 O LIG 1 8.208 -2.317 -0.745 0.00 0.00 -0.315 OA ATOM 36 C LIG 1 6.702 -3.197 -2.809 0.00 0.00 +0.087 C ATOM 37 C LIG 1 7.800 -0.611 -2.804 0.00 0.00 +0.087 C ENDBRANCH 31 34 BRANCH 29 38 ATOM 38 O LIG 1 4.197 -0.479 2.221 0.00 0.00 -0.477 OA ATOM 39 C LIG 1 5.357 -0.849 2.962 0.00 0.00 +0.279 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6