REMARK Name = BDB023093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.766 -1.343 -0.345 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -2.482 -1.265 -1.855 0.00 0.00 +0.166 C ATOM 3 C LIG 1 -0.952 -1.280 -1.952 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -0.482 -0.491 -0.725 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -1.466 -0.931 0.370 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 6 N LIG 1 -8.373 0.252 1.067 0.00 0.00 -0.167 NA ATOM 7 C LIG 1 -7.544 -0.580 0.501 0.00 0.00 +0.182 A ATOM 8 C LIG 1 -6.134 -0.223 0.461 0.00 0.00 +0.063 A ATOM 9 C LIG 1 -5.384 0.897 0.882 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -4.056 0.651 0.565 0.00 0.00 +0.089 A ATOM 11 N LIG 1 -3.969 -0.603 0.004 0.00 0.00 -0.328 N ATOM 12 C LIG 1 -5.240 -1.083 -0.123 0.00 0.00 +0.124 A ATOM 13 N LIG 1 -5.636 -2.228 -0.708 0.00 0.00 -0.332 N ATOM 14 H LIG 1 -5.043 -2.748 -1.352 0.00 0.00 +0.168 HD ATOM 15 C LIG 1 -6.985 -2.507 -0.651 0.00 0.00 +0.200 A ATOM 16 N LIG 1 -7.910 -1.792 -0.084 0.00 0.00 -0.216 NA BRANCH 6 18 ATOM 17 C LIG 1 -10.457 0.156 -0.140 0.00 0.00 +0.148 C ATOM 18 N LIG 1 -9.692 -0.105 1.083 0.00 0.00 -0.270 N ATOM 19 H LIG 1 -10.152 0.403 1.839 0.00 0.00 +0.168 HD ENDBRANCH 6 18 ENDBRANCH 1 11 BRANCH 2 20 ATOM 20 O LIG 1 -3.049 -2.394 -2.539 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -2.346 -3.083 -2.508 0.00 0.00 +0.210 HD ENDBRANCH 2 20 BRANCH 3 22 ATOM 22 O LIG 1 -0.514 -2.642 -1.854 0.00 0.00 -0.389 OA ATOM 23 H LIG 1 0.461 -2.631 -1.924 0.00 0.00 +0.210 HD ENDBRANCH 3 22 BRANCH 4 24 ATOM 24 C LIG 1 -0.468 1.026 -0.993 0.00 0.00 +0.011 C BRANCH 24 25 ATOM 25 C LIG 1 -0.079 1.913 0.203 0.00 0.00 +0.035 C BRANCH 25 26 ATOM 26 C LIG 1 1.201 1.515 0.894 0.00 0.00 -0.045 A ATOM 27 C LIG 1 2.436 1.613 0.227 0.00 0.00 +0.032 A ATOM 28 C LIG 1 3.629 1.232 0.826 0.00 0.00 +0.073 A ATOM 29 C LIG 1 3.583 0.755 2.155 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.790 0.388 2.758 0.00 0.00 +0.013 A ATOM 31 C LIG 1 5.974 0.486 2.033 0.00 0.00 +0.044 A ATOM 32 C LIG 1 5.927 0.955 0.726 0.00 0.00 +0.119 A ATOM 33 C LIG 1 2.358 0.662 2.837 0.00 0.00 +0.010 A ATOM 34 N LIG 1 4.777 1.331 0.132 0.00 0.00 -0.232 NA ATOM 35 C LIG 1 1.175 1.035 2.210 0.00 0.00 +0.004 A BRANCH 32 36 ATOM 36 N LIG 1 7.080 1.107 -0.044 0.00 0.00 -0.329 N ATOM 37 H LIG 1 6.733 1.496 -0.920 0.00 0.00 +0.147 HD BRANCH 36 38 ATOM 38 C LIG 1 7.792 -0.140 -0.288 0.00 0.00 +0.106 C BRANCH 38 39 ATOM 39 C LIG 1 8.964 0.152 -1.178 0.00 0.00 +0.006 C ATOM 40 C LIG 1 10.237 0.719 -0.603 0.00 0.00 +0.005 C ATOM 41 C LIG 1 10.212 -0.695 -1.115 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 10