REMARK Name = BDB043035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.172 3.406 -0.615 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.304 2.049 -0.388 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.985 1.547 -0.214 0.00 0.00 -0.200 N ATOM 4 C LIG 1 1.211 0.174 0.048 0.00 0.00 +0.126 A ATOM 5 C LIG 1 0.137 -0.631 0.116 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.226 -0.027 -0.091 0.00 0.00 +0.124 A ATOM 7 N LIG 1 1.927 2.531 -0.302 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.408 1.249 -0.324 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 1.220 3.634 -0.550 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.322 5.467 0.224 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -1.267 4.397 -0.868 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -1.134 5.046 -2.248 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.316 -0.873 -0.022 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -2.116 -1.856 -0.168 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.633 -0.464 -0.494 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -4.712 -1.419 0.038 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -6.064 -1.112 -0.640 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -7.271 -1.379 0.286 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -7.051 -2.532 1.164 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -6.880 -3.366 0.605 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -5.917 -2.317 2.071 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -4.864 -1.324 1.562 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -6.158 -1.903 -1.828 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -6.463 -2.791 -1.572 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 2.542 -0.231 0.207 0.00 0.00 -0.325 N ATOM 26 H LIG 1 3.151 0.597 0.239 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 2.985 -1.302 1.082 0.00 0.00 +0.139 C BRANCH 27 28 ATOM 28 C LIG 1 4.468 -1.508 0.955 0.00 0.00 -0.012 A ATOM 29 C LIG 1 5.096 -1.643 -0.286 0.00 0.00 +0.016 A ATOM 30 C LIG 1 6.477 -1.869 -0.361 0.00 0.00 +0.001 A ATOM 31 C LIG 1 7.198 -1.967 0.847 0.00 0.00 +0.071 A ATOM 32 C LIG 1 8.566 -2.191 0.777 0.00 0.00 +0.028 A ATOM 33 C LIG 1 9.229 -2.319 -0.447 0.00 0.00 +0.002 A ATOM 34 C LIG 1 8.514 -2.222 -1.635 0.00 0.00 +0.001 A ATOM 35 N LIG 1 6.605 -1.852 2.049 0.00 0.00 -0.255 NA ATOM 36 C LIG 1 7.139 -1.997 -1.594 0.00 0.00 +0.010 A ATOM 37 C LIG 1 5.271 -1.628 2.080 0.00 0.00 +0.116 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 8