REMARK Name = BDB038610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.403 1.108 -0.203 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.063 2.273 -0.001 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.352 2.391 -0.404 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.998 1.342 -1.052 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.343 0.125 -1.244 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.018 0.021 -0.809 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.391 0.502 1.362 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.320 -0.170 0.752 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.111 0.495 0.660 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.850 0.033 0.063 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.062 1.067 0.221 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.519 2.221 0.888 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.738 -1.059 -0.465 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.924 1.786 1.143 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.969 2.470 1.737 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.207 1.822 1.839 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.747 -0.164 1.466 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.560 0.182 0.311 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 6.071 -0.063 -0.549 0.00 0.00 +0.123 HD BRANCH 18 21 ATOM 20 C LIG 1 8.780 0.281 1.441 0.00 0.00 +0.024 C ATOM 21 C LIG 1 7.949 -0.280 0.286 0.00 0.00 +0.058 C BRANCH 21 22 ATOM 22 C LIG 1 8.182 -1.786 0.153 0.00 0.00 +0.057 C ATOM 23 C LIG 1 7.217 -2.666 -0.655 0.00 0.00 +0.167 C ATOM 24 O LIG 1 7.210 -3.675 0.386 0.00 0.00 -0.379 OA ATOM 25 C LIG 1 7.917 -2.787 1.286 0.00 0.00 +0.167 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -4.016 -1.016 -1.892 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -5.149 -1.660 -1.340 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.730 -2.752 -2.012 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -5.212 -3.203 -3.230 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -4.102 -2.569 -3.784 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -3.511 -1.491 -3.120 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -5.720 -1.254 -0.055 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -6.981 -0.743 0.140 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -7.971 -0.441 -0.857 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -7.104 -0.517 1.475 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -5.988 -0.848 2.078 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -5.117 -1.307 1.119 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -5.823 -4.311 -3.904 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -6.338 -5.195 -4.452 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -4.056 3.703 -0.147 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -4.267 4.166 1.278 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -5.442 3.737 0.455 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 9