REMARK Name = BDB036143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.266 1.322 0.297 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -3.091 0.952 -0.370 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -2.805 1.472 -1.586 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -3.694 2.355 -2.065 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -4.797 2.790 -1.427 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -5.086 2.268 -0.215 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -2.153 0.063 0.225 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -1.316 0.490 1.325 0.00 0.00 +0.115 C ATOM 9 C LIG 1 -0.087 0.371 0.399 0.00 0.00 +0.004 C ATOM 10 C LIG 1 0.369 1.681 -0.267 0.00 0.00 +0.025 C ATOM 11 C LIG 1 1.625 2.205 0.426 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.770 1.278 0.340 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 2.357 -0.131 0.250 0.00 0.00 +0.085 C ATOM 14 C LIG 1 1.077 -0.395 1.041 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.021 -0.480 -0.489 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.719 1.677 -0.714 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 5.146 1.075 -0.643 0.00 0.00 +0.003 C ATOM 18 C LIG 1 5.279 -0.311 -1.299 0.00 0.00 +0.005 C ATOM 19 C LIG 1 6.334 -1.203 -0.638 0.00 0.00 +0.009 C ATOM 20 C LIG 1 7.584 -0.425 -0.206 0.00 0.00 -0.005 C ATOM 21 C LIG 1 8.646 -1.363 0.389 0.00 0.00 +0.114 C ATOM 22 N LIG 1 9.889 -0.691 0.115 0.00 0.00 -0.304 N ATOM 23 C LIG 1 11.148 -1.194 0.611 0.00 0.00 +0.132 C ATOM 24 C LIG 1 9.795 0.116 -1.009 0.00 0.00 +0.216 C ATOM 25 O LIG 1 10.713 0.654 -1.605 0.00 0.00 -0.276 OA ATOM 26 C LIG 1 8.342 0.165 -1.422 0.00 0.00 +0.104 C ATOM 27 C LIG 1 7.210 0.693 0.806 0.00 0.00 +0.009 C ATOM 28 C LIG 1 5.733 1.102 0.773 0.00 0.00 +0.005 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 29 ATOM 29 O LIG 1 -4.646 0.858 1.534 0.00 0.00 -0.434 OA BRANCH 29 31 ATOM 30 C LIG 1 -5.422 -1.402 0.883 0.00 0.00 +0.082 A ATOM 31 C LIG 1 -4.745 -0.501 1.718 0.00 0.00 +0.143 A ATOM 32 C LIG 1 -4.167 -0.978 2.904 0.00 0.00 +0.050 A ATOM 33 C LIG 1 -4.199 -2.338 3.212 0.00 0.00 +0.042 A ATOM 34 C LIG 1 -4.826 -3.223 2.342 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -4.852 -4.529 2.637 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -5.440 -2.771 1.183 0.00 0.00 +0.055 A BRANCH 30 38 ATOM 37 N LIG 1 -7.490 -0.617 -0.217 0.00 0.00 -0.295 N ATOM 38 C LIG 1 -6.151 -1.000 -0.331 0.00 0.00 +0.250 C ATOM 39 O LIG 1 -5.535 -1.102 -1.388 0.00 0.00 -0.270 OA BRANCH 37 40 ATOM 40 C LIG 1 -8.262 -0.291 -1.434 0.00 0.00 +0.070 C ATOM 41 C LIG 1 -8.424 -1.503 -2.355 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -7.710 0.917 -2.190 0.00 0.00 +0.028 C ENDBRANCH 37 40 BRANCH 37 44 ATOM 43 C LIG 1 -8.334 0.970 1.498 0.00 0.00 +0.024 C ATOM 44 C LIG 1 -8.198 -0.481 1.063 0.00 0.00 +0.105 C ENDBRANCH 37 44 ENDBRANCH 30 38 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 8