REMARK Name = BDB029652 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.282 0.577 -3.584 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -0.712 -0.769 -3.418 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -0.167 -1.091 -2.005 0.00 0.00 +0.120 C ATOM 4 N LIG 1 0.817 -0.083 -1.569 0.00 0.00 -0.326 N ATOM 5 C LIG 1 0.702 1.254 -2.177 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -0.759 1.539 -2.603 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.814 -0.386 -0.660 0.00 0.00 +0.048 A ATOM 8 C LIG 1 2.967 0.391 -0.493 0.00 0.00 +0.134 A ATOM 9 N LIG 1 3.982 0.153 0.382 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 3.865 -0.943 1.163 0.00 0.00 +0.125 A ATOM 11 C LIG 1 2.771 -1.795 1.087 0.00 0.00 +0.035 A ATOM 12 C LIG 1 1.750 -1.506 0.176 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 4.961 -1.271 2.134 0.00 0.00 +0.263 C ATOM 14 N LIG 1 5.992 -0.390 2.404 0.00 0.00 -0.307 N ATOM 15 H LIG 1 6.637 -0.791 3.078 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 4.956 -2.353 2.723 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 6.147 1.003 1.959 0.00 0.00 +0.076 C ATOM 18 C LIG 1 6.877 1.165 0.606 0.00 0.00 +0.040 C ATOM 19 C LIG 1 8.191 1.442 1.370 0.00 0.00 +0.095 C ATOM 20 C LIG 1 7.334 1.737 2.622 0.00 0.00 +0.040 C BRANCH 19 21 ATOM 21 C LIG 1 9.098 0.317 1.492 0.00 0.00 +0.066 C ATOM 22 N LIG 1 9.829 -0.577 1.605 0.00 0.00 -0.196 NA ENDBRANCH 19 21 ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 -2.729 0.634 -3.797 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 -6.432 -0.425 1.463 0.00 0.00 +0.019 A ATOM 25 C LIG 1 -6.093 1.036 1.412 0.00 0.00 +0.252 A ATOM 26 O LIG 1 -6.495 1.826 2.260 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 -5.310 1.459 0.369 0.00 0.00 -0.321 N ATOM 28 H LIG 1 -5.089 2.445 0.355 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 -4.842 0.603 -0.634 0.00 0.00 +0.068 A ATOM 30 C LIG 1 -5.171 -0.749 -0.602 0.00 0.00 +0.088 A ATOM 31 N LIG 1 -4.771 -1.639 -1.533 0.00 0.00 -0.253 NA ATOM 32 C LIG 1 -4.005 -1.151 -2.537 0.00 0.00 +0.116 A ATOM 33 C LIG 1 -3.603 0.180 -2.654 0.00 0.00 -0.013 A ATOM 34 C LIG 1 -4.052 1.076 -1.674 0.00 0.00 +0.034 A ATOM 35 C LIG 1 -5.996 -1.248 0.492 0.00 0.00 +0.038 A BRANCH 24 37 ATOM 36 C LIG 1 -6.501 -1.038 3.898 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -7.291 -0.893 2.605 0.00 0.00 +0.037 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 7