REMARK Name = BDB022358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.642 0.113 0.412 0.00 0.00 +0.032 A ATOM 2 C LIG 1 -0.607 -0.093 -0.194 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -1.444 0.975 -0.584 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -2.777 0.726 -1.198 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.456 1.791 -1.647 0.00 0.00 +0.093 A ATOM 6 C LIG 1 -2.983 3.184 -1.514 0.00 0.00 +0.253 A ATOM 7 N LIG 1 -1.778 3.386 -0.863 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -1.306 4.752 -0.703 0.00 0.00 +0.152 C ATOM 9 O LIG 1 -3.688 4.083 -1.971 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -0.985 2.293 -0.405 0.00 0.00 +0.054 A ATOM 11 C LIG 1 0.262 2.501 0.205 0.00 0.00 +0.028 A ATOM 12 C LIG 1 1.059 1.426 0.609 0.00 0.00 +0.025 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 1.430 -1.007 0.742 0.00 0.00 -0.313 N ATOM 14 H LIG 1 0.878 -1.850 0.881 0.00 0.00 +0.152 HD BRANCH 13 20 ATOM 15 C LIG 1 5.085 -0.500 0.401 0.00 0.00 +0.127 A ATOM 16 N LIG 1 5.621 -1.444 1.222 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 4.756 -2.259 1.875 0.00 0.00 +0.058 A ATOM 18 C LIG 1 5.387 -3.288 2.773 0.00 0.00 +0.067 C ATOM 19 C LIG 1 3.365 -2.155 1.732 0.00 0.00 +0.094 A ATOM 20 C LIG 1 2.829 -1.172 0.874 0.00 0.00 +0.053 A ATOM 21 C LIG 1 3.723 -0.332 0.204 0.00 0.00 +0.057 A BRANCH 15 25 ATOM 22 C LIG 1 8.459 0.905 -0.563 0.00 0.00 +0.128 C ATOM 23 N LIG 1 7.383 0.087 -0.075 0.00 0.00 -0.313 N ATOM 24 H LIG 1 7.561 -0.639 0.613 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 6.059 0.396 -0.305 0.00 0.00 +0.262 C ATOM 26 O LIG 1 5.679 1.324 -1.009 0.00 0.00 -0.269 OA ENDBRANCH 15 25 BRANCH 19 27 ATOM 27 C LIG 1 2.503 -3.040 2.458 0.00 0.00 +0.103 C ATOM 28 N LIG 1 1.796 -3.764 3.026 0.00 0.00 -0.191 NA ENDBRANCH 19 27 ENDBRANCH 13 20 ENDBRANCH 1 13 BRANCH 4 29 ATOM 29 N LIG 1 -3.227 -0.595 -1.250 0.00 0.00 -0.334 N ATOM 30 H LIG 1 -3.048 -1.058 -0.356 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.559 -1.028 -1.723 0.00 0.00 +0.135 C ATOM 32 C LIG 1 -4.463 -2.491 -2.158 0.00 0.00 +0.036 C BRANCH 31 33 ATOM 33 C LIG 1 -5.616 -0.888 -0.628 0.00 0.00 +0.149 A ATOM 34 N LIG 1 -6.806 -0.349 -0.966 0.00 0.00 -0.238 NA ATOM 35 C LIG 1 -7.709 -0.224 0.025 0.00 0.00 +0.114 A ATOM 36 C LIG 1 -7.476 -0.618 1.321 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -6.239 -1.165 1.563 0.00 0.00 +0.114 A ATOM 38 N LIG 1 -5.295 -1.317 0.616 0.00 0.00 -0.238 NA ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 4 29 TORSDOF 7