REMARK Name = BDB038685 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.307 -0.397 -1.266 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.711 -0.136 -2.530 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.033 -0.022 -2.817 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.982 -0.178 -1.809 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.587 -0.438 -0.493 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.219 -0.553 -0.233 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.528 -0.986 0.113 0.00 0.00 +0.121 A ATOM 8 C LIG 1 3.249 -0.956 0.673 0.00 0.00 +0.059 A ATOM 9 C LIG 1 2.178 -0.752 -0.175 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.746 -0.689 0.146 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.080 -0.496 -1.056 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.993 -0.382 -2.183 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.320 -0.784 1.282 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.330 -0.573 -1.545 0.00 0.00 -0.017 A ATOM 15 C LIG 1 3.590 -0.589 -2.112 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.695 -0.796 -1.272 0.00 0.00 +0.046 A BRANCH 7 17 ATOM 17 O LIG 1 5.531 -1.199 1.018 0.00 0.00 -0.489 OA BRANCH 17 18 ATOM 18 C LIG 1 6.853 -1.392 0.508 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 7.806 -1.748 1.665 0.00 0.00 +0.166 C BRANCH 19 20 ATOM 20 O LIG 1 7.448 -3.015 2.242 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 7.178 -3.610 1.522 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 7.823 -0.703 2.799 0.00 0.00 +0.115 C BRANCH 22 24 ATOM 23 C LIG 1 8.444 1.518 3.493 0.00 0.00 +0.101 C ATOM 24 N LIG 1 8.248 0.631 2.350 0.00 0.00 -0.316 NA ATOM 25 H LIG 1 7.510 1.030 1.767 0.00 0.00 +0.122 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -4.580 -0.580 0.591 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.501 0.441 0.928 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -6.455 0.223 1.940 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -6.487 -0.983 2.644 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -5.568 -1.986 2.335 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -4.628 -1.786 1.318 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -5.525 1.731 0.243 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -4.560 2.706 0.300 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -3.344 2.731 1.069 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -4.983 3.710 -0.518 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -6.143 3.392 -1.039 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -6.494 2.159 -0.545 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -7.456 -1.188 3.682 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.232 -1.355 4.530 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -3.393 0.292 -4.256 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -4.697 -0.140 -4.883 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -4.457 1.313 -4.586 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 11