REMARK Name = BDB022426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.436 -0.467 -1.394 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.107 -0.728 -1.007 0.00 0.00 +0.014 A ATOM 3 C LIG 1 0.033 0.074 -1.441 0.00 0.00 +0.001 A ATOM 4 C LIG 1 0.331 1.149 -2.296 0.00 0.00 +0.010 A ATOM 5 C LIG 1 1.642 1.421 -2.690 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.688 0.619 -2.243 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.360 -0.195 -1.034 0.00 0.00 +0.071 A ATOM 8 N LIG 1 -2.305 0.027 -1.979 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 -3.605 -0.207 -1.656 0.00 0.00 +0.134 A ATOM 10 C LIG 1 -4.031 -0.650 -0.409 0.00 0.00 +0.052 A ATOM 11 C LIG 1 -3.047 -0.858 0.555 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -1.703 -0.633 0.243 0.00 0.00 +0.030 A BRANCH 10 13 ATOM 13 N LIG 1 -5.372 -0.888 -0.043 0.00 0.00 -0.281 N ATOM 14 H LIG 1 -5.530 -1.192 0.907 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 -6.471 -0.811 -0.868 0.00 0.00 +0.241 C ATOM 16 O LIG 1 -6.471 -0.605 -2.075 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 -7.765 -1.096 -0.192 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -8.068 -0.736 1.067 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -9.404 -1.000 1.705 0.00 0.00 +0.111 C BRANCH 19 20 ATOM 20 N LIG 1 -10.148 0.240 1.957 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 -9.604 0.997 3.088 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -11.560 -0.061 2.207 0.00 0.00 +0.104 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 C LIG 1 3.557 -1.389 -0.913 0.00 0.00 +0.108 C BRANCH 23 24 ATOM 24 C LIG 1 4.849 -0.623 -0.557 0.00 0.00 +0.226 C ATOM 25 N LIG 1 4.653 0.289 0.461 0.00 0.00 -0.268 N ATOM 26 H LIG 1 3.730 0.451 0.839 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 5.924 -0.833 -1.111 0.00 0.00 -0.275 OA BRANCH 25 28 ATOM 28 C LIG 1 5.619 1.086 1.022 0.00 0.00 +0.147 A ATOM 29 N LIG 1 5.264 1.921 2.006 0.00 0.00 -0.158 NA ATOM 30 N LIG 1 6.411 2.542 2.335 0.00 0.00 -0.280 N ATOM 31 H LIG 1 6.395 3.235 3.075 0.00 0.00 +0.189 HD ATOM 32 C LIG 1 7.475 2.132 1.593 0.00 0.00 +0.041 A ATOM 33 C LIG 1 6.998 1.177 0.732 0.00 0.00 +0.068 A BRANCH 32 34 ATOM 34 C LIG 1 8.929 2.630 1.721 0.00 0.00 +0.037 C ATOM 35 C LIG 1 9.208 4.103 1.569 0.00 0.00 +0.010 C ATOM 36 C LIG 1 9.637 3.145 0.496 0.00 0.00 +0.010 C ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 23 24 BRANCH 23 38 ATOM 37 C LIG 1 4.232 -2.273 -3.271 0.00 0.00 +0.008 C ATOM 38 C LIG 1 3.735 -2.610 -1.861 0.00 0.00 -0.001 C ATOM 39 C LIG 1 4.625 -3.689 -1.233 0.00 0.00 +0.008 C ENDBRANCH 23 38 ENDBRANCH 1 23 TORSDOF 10