REMARK Name = BDB038699 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.619 1.320 -0.052 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -1.305 0.916 0.208 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -0.412 0.757 -0.842 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -0.788 0.972 -2.126 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.049 1.387 -2.400 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.975 1.578 -1.379 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.920 0.360 -0.637 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.579 0.187 0.573 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.207 0.367 1.717 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.939 -0.263 0.247 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.066 -0.313 -1.134 0.00 0.00 -0.018 A ATOM 12 C LIG 1 4.258 -0.707 -1.705 0.00 0.00 +0.006 A ATOM 13 C LIG 1 5.316 -1.054 -0.851 0.00 0.00 +0.006 A ATOM 14 C LIG 1 5.199 -1.011 0.567 0.00 0.00 -0.027 A ATOM 15 C LIG 1 3.970 -0.599 1.111 0.00 0.00 +0.018 A ATOM 16 C LIG 1 1.786 0.105 -1.776 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 6.397 -1.415 1.442 0.00 0.00 +0.036 C ATOM 18 C LIG 1 7.609 -0.510 1.148 0.00 0.00 +0.032 C ATOM 19 C LIG 1 6.770 -2.886 1.189 0.00 0.00 +0.032 C BRANCH 17 20 ATOM 20 N LIG 1 6.133 -1.296 2.884 0.00 0.00 -0.321 NA ATOM 21 H LIG 1 5.348 -1.893 3.141 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 5.876 -0.337 3.112 0.00 0.00 +0.119 HD ENDBRANCH 17 20 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 -4.045 0.402 1.839 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -3.596 1.481 1.040 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -4.084 2.772 1.325 0.00 0.00 +0.010 A ATOM 26 C LIG 1 -4.977 2.996 2.376 0.00 0.00 +0.019 A ATOM 27 C LIG 1 -5.398 1.932 3.175 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -4.929 0.643 2.907 0.00 0.00 +0.031 A BRANCH 23 31 ATOM 29 C LIG 1 -4.692 -1.472 -0.609 0.00 0.00 +0.152 C ATOM 30 N LIG 1 -3.886 -1.772 0.542 0.00 0.00 -0.317 N ATOM 31 C LIG 1 -3.611 -0.980 1.630 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -2.926 -1.703 2.498 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 -2.709 -2.949 1.957 0.00 0.00 -0.138 NA ATOM 34 C LIG 1 -3.293 -2.974 0.784 0.00 0.00 +0.225 A ENDBRANCH 23 31 BRANCH 27 35 ATOM 35 C LIG 1 -6.307 2.160 4.258 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.057 2.353 5.123 0.00 0.00 -0.191 NA ENDBRANCH 27 35 ENDBRANCH 1 24 BRANCH 5 37 ATOM 37 C LIG 1 -2.426 1.641 -3.840 0.00 0.00 +0.038 C ATOM 38 C LIG 1 -2.017 0.654 -4.910 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -3.459 0.771 -4.519 0.00 0.00 +0.010 C ENDBRANCH 5 37 TORSDOF 7