REMARK Name = BDB038682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.064 -1.149 -0.710 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.234 -1.297 -2.036 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.428 -1.684 -2.541 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.510 -1.924 -1.700 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.370 -1.775 -0.318 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.109 -1.410 0.170 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.452 0.891 0.629 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.632 0.464 -0.425 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.342 0.068 -0.119 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.290 -0.416 -1.024 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.819 -0.697 -0.227 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.569 -0.407 1.176 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.475 -0.508 -2.224 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 0.841 0.075 1.177 0.00 0.00 -0.018 A ATOM 15 C LIG 1 1.634 0.489 2.232 0.00 0.00 +0.006 A ATOM 16 C LIG 1 2.945 0.894 1.951 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 4.880 1.320 0.366 0.00 0.00 +0.117 C BRANCH 17 18 ATOM 18 N LIG 1 5.804 0.276 0.813 0.00 0.00 -0.305 NA ATOM 19 H LIG 1 5.638 -0.556 0.248 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 7.207 0.734 0.819 0.00 0.00 +0.043 C ATOM 21 C LIG 1 7.444 1.674 2.039 0.00 0.00 +0.024 C ATOM 22 C LIG 1 8.673 0.811 2.390 0.00 0.00 +0.004 C ATOM 23 C LIG 1 8.003 -0.346 1.619 0.00 0.00 +0.024 C BRANCH 20 24 ATOM 24 C LIG 1 7.822 1.086 -0.538 0.00 0.00 +0.181 C BRANCH 24 26 ATOM 25 C LIG 1 7.825 2.685 -2.273 0.00 0.00 +0.194 C ATOM 26 O LIG 1 7.306 2.340 -0.996 0.00 0.00 -0.381 OA ENDBRANCH 24 26 ENDBRANCH 20 24 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 -5.521 -1.970 0.591 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.928 -0.995 1.536 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -7.006 -1.258 2.401 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -7.704 -2.466 2.327 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -7.321 -3.425 1.390 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.241 -3.180 0.536 0.00 0.00 +0.010 A BRANCH 28 33 ATOM 33 C LIG 1 -5.241 0.287 1.690 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -5.212 1.318 0.784 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -5.884 1.418 -0.483 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -4.400 2.273 1.318 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -3.966 1.874 2.490 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -4.506 0.634 2.731 0.00 0.00 -0.129 NA ENDBRANCH 28 33 BRANCH 30 39 ATOM 39 C LIG 1 -8.806 -2.718 3.208 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -9.706 -2.924 3.911 0.00 0.00 -0.191 NA ENDBRANCH 30 39 ENDBRANCH 5 27 BRANCH 3 41 ATOM 41 C LIG 1 -3.563 -1.844 -4.036 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -4.394 -0.863 -4.831 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -2.902 -0.851 -4.964 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 10