REMARK Name = BDB038703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.975 1.423 0.234 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.441 2.600 -0.243 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.777 2.811 -0.329 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.680 1.834 0.078 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.220 0.603 0.554 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.836 0.413 0.638 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.947 0.375 0.710 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.689 -0.216 0.895 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.571 0.540 0.593 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.152 0.172 0.698 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.577 1.280 0.290 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.278 2.388 -0.106 0.00 0.00 +0.151 C ATOM 13 O LIG 1 -0.217 -0.925 1.077 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.650 1.847 0.121 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.880 2.448 -0.070 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.029 1.705 0.228 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.213 -0.395 1.038 0.00 0.00 +0.119 C BRANCH 17 19 ATOM 18 C LIG 1 5.606 -1.496 -1.092 0.00 0.00 +0.105 C ATOM 19 N LIG 1 6.106 -0.530 -0.117 0.00 0.00 -0.298 NA BRANCH 19 20 ATOM 20 C LIG 1 7.520 -0.731 0.242 0.00 0.00 +0.118 C BRANCH 20 21 ATOM 21 C LIG 1 8.071 -2.120 0.707 0.00 0.00 +0.073 C ATOM 22 C LIG 1 9.568 -1.976 1.019 0.00 0.00 +0.042 C ATOM 23 C LIG 1 7.358 -2.686 1.932 0.00 0.00 +0.042 C BRANCH 21 24 ATOM 24 O LIG 1 7.959 -3.091 -0.341 0.00 0.00 -0.388 OA ATOM 25 H LIG 1 8.378 -2.719 -1.136 0.00 0.00 +0.210 HD ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -5.160 -0.465 0.945 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -6.119 -1.007 0.054 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -7.028 -1.981 0.507 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -6.976 -2.451 1.821 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.016 -1.945 2.696 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.122 -0.961 2.263 0.00 0.00 +0.010 A BRANCH 27 32 ATOM 32 C LIG 1 -6.230 -0.577 -1.339 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -5.309 -0.791 -2.335 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -4.066 -1.513 -2.268 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -5.812 -0.201 -3.454 0.00 0.00 +0.225 A ATOM 36 N LIG 1 -6.981 0.328 -3.184 0.00 0.00 -0.138 NA ATOM 37 N LIG 1 -7.253 0.076 -1.859 0.00 0.00 -0.129 NA ENDBRANCH 27 32 BRANCH 29 38 ATOM 38 C LIG 1 -7.902 -3.452 2.266 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.642 -4.268 2.629 0.00 0.00 -0.191 NA ENDBRANCH 29 38 ENDBRANCH 5 26 BRANCH 3 40 ATOM 40 C LIG 1 -4.259 4.134 -0.871 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.779 4.604 -2.226 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -5.207 4.182 -2.050 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 10