REMARK Name = BDB022355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.952 -1.341 1.008 0.00 0.00 +0.042 A ATOM 2 C LIG 1 1.557 -1.223 0.498 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.660 -2.296 0.654 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -0.631 -2.188 0.116 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -1.052 -1.021 -0.529 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.214 0.085 -0.627 0.00 0.00 +0.033 A ATOM 7 N LIG 1 1.067 -3.461 1.371 0.00 0.00 -0.311 N ATOM 8 C LIG 1 0.142 -4.568 1.556 0.00 0.00 +0.152 C ATOM 9 C LIG 1 2.315 -3.549 1.961 0.00 0.00 +0.253 A ATOM 10 O LIG 1 2.702 -4.497 2.642 0.00 0.00 -0.268 OA ATOM 11 C LIG 1 1.093 -0.044 -0.127 0.00 0.00 +0.035 A ATOM 12 C LIG 1 3.251 -2.432 1.727 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 3.852 -0.326 0.717 0.00 0.00 -0.334 N ATOM 14 H LIG 1 3.644 0.213 -0.122 0.00 0.00 +0.147 HD BRANCH 13 16 ATOM 15 C LIG 1 6.052 -1.211 0.046 0.00 0.00 +0.036 C ATOM 16 C LIG 1 5.297 -0.280 0.995 0.00 0.00 +0.135 C BRANCH 16 17 ATOM 17 C LIG 1 5.827 1.146 0.805 0.00 0.00 +0.149 A ATOM 18 N LIG 1 6.811 1.569 1.627 0.00 0.00 -0.238 NA ATOM 19 C LIG 1 7.272 2.816 1.419 0.00 0.00 +0.114 A ATOM 20 C LIG 1 6.805 3.645 0.428 0.00 0.00 +0.039 A ATOM 21 C LIG 1 5.813 3.121 -0.367 0.00 0.00 +0.114 A ATOM 22 N LIG 1 5.308 1.884 -0.209 0.00 0.00 -0.238 NA ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 N LIG 1 -0.576 1.280 -1.282 0.00 0.00 -0.298 N ATOM 24 H LIG 1 0.104 2.023 -1.145 0.00 0.00 +0.154 HD BRANCH 23 25 ATOM 25 C LIG 1 -1.858 1.835 -1.534 0.00 0.00 +0.147 A ATOM 26 C LIG 1 -1.952 2.972 -2.327 0.00 0.00 +0.099 A ATOM 27 CL LIG 1 -0.582 3.785 -2.977 0.00 0.00 -0.078 Cl ATOM 28 C LIG 1 -3.220 3.446 -2.565 0.00 0.00 +0.137 A ATOM 29 N LIG 1 -4.335 2.870 -2.076 0.00 0.00 -0.221 NA ATOM 30 C LIG 1 -4.169 1.775 -1.319 0.00 0.00 +0.220 A ATOM 31 N LIG 1 -2.967 1.242 -1.042 0.00 0.00 -0.198 NA BRANCH 30 32 ATOM 32 N LIG 1 -5.303 1.162 -0.781 0.00 0.00 -0.297 N ATOM 33 C LIG 1 -5.404 -0.220 -0.421 0.00 0.00 +0.131 C ATOM 34 C LIG 1 -6.939 -0.043 -0.488 0.00 0.00 +0.086 C ATOM 35 C LIG 1 -7.607 0.271 0.849 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -6.614 1.194 -1.358 0.00 0.00 +0.131 C BRANCH 34 37 ATOM 37 C LIG 1 -7.628 -1.102 -1.194 0.00 0.00 +0.072 C ATOM 38 N LIG 1 -8.180 -1.952 -1.759 0.00 0.00 -0.196 NA ENDBRANCH 34 37 ENDBRANCH 30 32 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 7