REMARK Name = BDB027023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.681 -0.827 1.928 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.433 -1.779 3.092 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.959 -3.081 3.046 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.754 -3.971 4.101 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.032 -3.568 5.223 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.522 -2.274 5.293 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.726 -1.382 4.239 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.425 0.030 1.599 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.336 1.190 2.016 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -4.235 0.785 -1.031 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -3.755 -0.533 -1.101 0.00 0.00 +0.036 A ATOM 12 C LIG 1 -2.550 -0.843 -0.450 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -1.807 0.098 0.262 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -0.644 -0.565 0.784 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -0.732 -1.884 0.372 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -2.299 1.417 0.326 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -1.880 -2.039 -0.358 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -2.199 -2.906 -0.770 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -3.503 1.742 -0.317 0.00 0.00 +0.011 A BRANCH 10 23 ATOM 20 C LIG 1 -8.428 0.867 -3.700 0.00 0.00 +0.150 C ATOM 21 N LIG 1 -7.320 1.218 -2.850 0.00 0.00 -0.339 N ATOM 22 C LIG 1 -6.275 0.410 -2.499 0.00 0.00 +0.115 A ATOM 23 C LIG 1 -5.480 1.184 -1.677 0.00 0.00 +0.089 A ATOM 24 N LIG 1 -6.032 2.442 -1.539 0.00 0.00 -0.236 NA ATOM 25 C LIG 1 -7.135 2.429 -2.252 0.00 0.00 +0.199 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.850 0.036 2.250 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.507 0.737 2.914 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.394 0.743 1.084 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.250 -0.162 0.184 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 4.883 0.613 -0.948 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.185 1.114 -0.823 0.00 0.00 +0.005 A ATOM 32 C LIG 1 6.766 1.844 -1.864 0.00 0.00 +0.019 A ATOM 33 C LIG 1 6.047 2.084 -3.039 0.00 0.00 +0.052 A ATOM 34 C LIG 1 4.744 1.593 -3.166 0.00 0.00 +0.019 A ATOM 35 C LIG 1 4.164 0.864 -2.125 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 6.642 2.832 -4.107 0.00 0.00 +0.099 C ATOM 37 N LIG 1 7.121 3.436 -4.975 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9