REMARK Name = BDB019990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.811 -1.028 -0.205 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.480 -0.613 -0.309 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.159 0.543 -1.032 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -1.165 1.272 -1.674 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.504 0.865 -1.582 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.817 -0.282 -0.835 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 -3.105 -3.554 1.997 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -2.176 -4.335 1.421 0.00 0.00 -0.176 NA ATOM 9 C LIG 1 -1.588 -3.534 0.522 0.00 0.00 +0.068 A ATOM 10 C LIG 1 -0.506 -4.067 -0.344 0.00 0.00 +0.068 C ATOM 11 C LIG 1 -2.140 -2.224 0.547 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -3.121 -2.279 1.513 0.00 0.00 +0.117 A BRANCH 7 14 ATOM 13 C LIG 1 -5.154 -4.838 2.469 0.00 0.00 +0.029 C ATOM 14 C LIG 1 -3.956 -4.098 3.038 0.00 0.00 +0.140 C ENDBRANCH 7 14 ENDBRANCH 1 11 BRANCH 3 15 ATOM 15 C LIG 1 1.249 0.998 -1.158 0.00 0.00 +0.245 C ATOM 16 N LIG 1 2.021 0.858 -0.028 0.00 0.00 -0.304 N ATOM 17 H LIG 1 1.608 0.534 0.834 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 1.648 1.477 -2.211 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 3.441 1.151 -0.025 0.00 0.00 +0.107 C BRANCH 19 20 ATOM 20 C LIG 1 4.270 -0.097 -0.301 0.00 0.00 -0.027 A ATOM 21 C LIG 1 5.425 0.010 -1.102 0.00 0.00 +0.011 A ATOM 22 C LIG 1 6.222 -1.109 -1.383 0.00 0.00 -0.015 A ATOM 23 C LIG 1 7.462 -0.983 -2.213 0.00 0.00 +0.047 C ATOM 24 C LIG 1 5.863 -2.339 -0.833 0.00 0.00 +0.126 A ATOM 25 F LIG 1 6.620 -3.421 -1.065 0.00 0.00 -0.205 F ATOM 26 C LIG 1 4.729 -2.473 -0.041 0.00 0.00 +0.039 A ATOM 27 C LIG 1 3.933 -1.357 0.222 0.00 0.00 +0.008 A ENDBRANCH 19 20 BRANCH 19 28 ATOM 28 C LIG 1 3.769 1.858 1.271 0.00 0.00 +0.014 C ATOM 29 C LIG 1 5.060 1.685 2.041 0.00 0.00 +0.006 C ATOM 30 C LIG 1 3.769 1.173 2.620 0.00 0.00 +0.006 C ENDBRANCH 19 28 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 31 ATOM 31 C LIG 1 -3.594 1.673 -2.252 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -4.060 2.737 -1.389 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -3.554 4.038 -1.430 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -2.666 4.492 -2.239 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -2.497 5.477 -2.032 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -4.233 4.703 -0.403 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -3.998 6.069 -0.010 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -5.087 3.817 0.240 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -4.984 2.623 -0.360 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8