REMARK Name = BDB031759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.471 0.443 -2.416 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.165 1.424 -1.453 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.053 1.339 -0.770 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.991 0.344 -1.006 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.071 0.624 -0.108 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.812 1.713 0.624 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.703 -0.627 -1.983 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.603 2.115 0.209 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.200 2.939 0.639 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.518 -0.557 -2.672 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.148 -0.622 1.266 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.674 -0.621 -0.055 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.339 0.122 -1.019 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.119 0.344 -2.489 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.777 0.498 -3.175 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.271 1.231 -2.901 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.016 1.486 -1.763 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.849 2.054 -1.774 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.482 1.636 -4.032 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.611 -0.750 -3.383 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.485 0.839 -0.646 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.983 0.858 0.640 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.296 0.116 1.606 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.811 -1.403 3.490 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.406 -1.385 2.127 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.177 -0.157 -0.066 0.00 0.00 -0.295 N ATOM 27 H LIG 1 -3.223 -0.958 -0.691 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.362 -0.102 0.711 0.00 0.00 +0.078 A ATOM 29 C LIG 1 -5.341 -1.093 0.506 0.00 0.00 +0.159 A ATOM 30 C LIG 1 -6.499 -1.034 1.271 0.00 0.00 +0.158 A ATOM 31 N LIG 1 -6.751 -0.084 2.202 0.00 0.00 -0.256 NA ATOM 32 C LIG 1 -5.802 0.861 2.386 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -6.074 1.918 3.416 0.00 0.00 +0.065 C ATOM 34 C LIG 1 -4.610 0.883 1.668 0.00 0.00 +0.050 A BRANCH 29 35 ATOM 35 O LIG 1 -5.047 -2.038 -0.448 0.00 0.00 -0.492 OA ATOM 36 C LIG 1 -6.028 -3.045 -0.668 0.00 0.00 +0.277 C ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5