REMARK Name = BDB034384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.142 0.777 -0.134 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.266 0.550 -0.102 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.722 -0.788 -0.027 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -3.087 -1.045 -0.018 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -4.046 -0.023 -0.063 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -3.604 1.298 -0.118 0.00 0.00 +0.009 A ATOM 7 N LIG 1 -0.894 -1.840 0.046 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 0.427 -1.594 0.078 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.237 1.581 -0.133 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.979 -0.330 0.009 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.484 -0.337 -0.050 0.00 0.00 -0.010 A ATOM 12 C LIG 1 -6.247 -0.373 1.153 0.00 0.00 -0.010 A ATOM 13 C LIG 1 -7.631 -0.674 1.078 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -8.406 -0.714 2.249 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -7.837 -0.462 3.497 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.483 -0.169 3.590 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -8.224 -0.935 -0.167 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -7.472 -0.903 -1.337 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.700 -0.125 2.434 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.114 -0.607 -1.279 0.00 0.00 +0.009 A ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 N LIG 1 0.649 2.089 -0.187 0.00 0.00 -0.343 N ATOM 22 H LIG 1 0.049 2.708 -0.723 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 2.070 2.366 -0.418 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 2.443 2.153 -1.886 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 3.906 2.498 -2.178 0.00 0.00 +0.083 C BRANCH 25 26 ATOM 26 N LIG 1 4.873 1.729 -1.395 0.00 0.00 -0.312 NA ATOM 27 H LIG 1 5.797 2.149 -1.497 0.00 0.00 +0.122 HD BRANCH 26 28 ATOM 28 C LIG 1 4.959 0.328 -1.818 0.00 0.00 +0.120 C BRANCH 28 36 ATOM 29 C LIG 1 8.349 -0.988 -0.610 0.00 0.00 +0.004 A ATOM 30 C LIG 1 7.989 -1.752 0.500 0.00 0.00 +0.049 A ATOM 31 C LIG 1 6.651 -1.823 0.823 0.00 0.00 +0.167 A ATOM 32 O LIG 1 6.132 -2.517 1.871 0.00 0.00 -0.453 OA ATOM 33 C LIG 1 4.731 -2.210 1.732 0.00 0.00 +0.466 C ATOM 34 O LIG 1 4.436 -1.391 0.583 0.00 0.00 -0.452 OA ATOM 35 C LIG 1 5.686 -1.172 0.086 0.00 0.00 +0.171 A ATOM 36 C LIG 1 6.005 -0.407 -1.024 0.00 0.00 +0.012 A ATOM 37 C LIG 1 7.367 -0.319 -1.364 0.00 0.00 +0.009 A ENDBRANCH 28 36 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 8