REMARK Name = BDB032409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.044 -0.845 2.097 0.00 0.00 -0.030 A ATOM 2 C LIG 1 0.024 -1.800 1.994 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -1.260 -1.434 1.575 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -1.564 -0.107 1.251 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -0.552 0.850 1.385 0.00 0.00 +0.023 A ATOM 6 C LIG 1 0.733 0.489 1.803 0.00 0.00 +0.007 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.860 0.259 0.835 0.00 0.00 -0.325 N ATOM 8 C LIG 1 -3.228 1.409 0.053 0.00 0.00 +0.135 C ATOM 9 C LIG 1 -4.568 0.709 -0.186 0.00 0.00 +0.081 C ATOM 10 N LIG 1 -5.060 0.711 -1.554 0.00 0.00 -0.323 N ATOM 11 C LIG 1 -6.407 0.760 -1.623 0.00 0.00 +0.139 A ATOM 12 N LIG 1 -6.827 0.727 -2.863 0.00 0.00 -0.238 NA ATOM 13 C LIG 1 -5.657 0.668 -3.605 0.00 0.00 +0.130 A ATOM 14 C LIG 1 -7.015 0.783 -0.278 0.00 0.00 +0.182 C ATOM 15 C LIG 1 -4.533 0.653 -2.794 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -5.809 1.116 0.641 0.00 0.00 +0.071 C ATOM 17 C LIG 1 -3.837 -0.586 0.198 0.00 0.00 +0.135 C BRANCH 14 18 ATOM 18 O LIG 1 -7.481 -0.530 -0.001 0.00 0.00 -0.384 OA ATOM 19 H LIG 1 -8.067 -0.765 -0.745 0.00 0.00 +0.210 HD ENDBRANCH 14 18 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 C LIG 1 2.413 -1.258 2.589 0.00 0.00 +0.137 C BRANCH 20 21 ATOM 21 N LIG 1 3.496 -0.438 2.046 0.00 0.00 -0.339 N ATOM 22 H LIG 1 4.242 -0.336 2.727 0.00 0.00 +0.146 HD BRANCH 21 26 ATOM 23 C LIG 1 6.902 0.604 -1.306 0.00 0.00 +0.124 A ATOM 24 C LIG 1 5.742 -0.129 -0.945 0.00 0.00 +0.023 A ATOM 25 C LIG 1 5.190 0.080 0.345 0.00 0.00 +0.008 A ATOM 26 C LIG 1 4.037 -0.661 0.764 0.00 0.00 +0.035 A ATOM 27 C LIG 1 3.421 -1.516 -0.163 0.00 0.00 +0.023 A ATOM 28 C LIG 1 3.955 -1.718 -1.432 0.00 0.00 +0.003 A ATOM 29 C LIG 1 5.817 1.040 1.162 0.00 0.00 +0.030 A ATOM 30 C LIG 1 6.939 1.706 0.707 0.00 0.00 +0.113 A ATOM 31 C LIG 1 5.109 -1.044 -1.813 0.00 0.00 +0.012 A ATOM 32 N LIG 1 7.494 1.499 -0.498 0.00 0.00 -0.240 NA BRANCH 23 33 ATOM 33 N LIG 1 7.508 0.443 -2.564 0.00 0.00 -0.343 N ATOM 34 H LIG 1 7.778 -0.528 -2.682 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 6.840 0.689 -3.287 0.00 0.00 +0.144 HD ENDBRANCH 23 33 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6