REMARK Name = BDB063447 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.366 -2.372 -0.948 0.00 0.00 -0.284 N ATOM 2 H LIG 1 0.829 -3.138 -1.326 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -1.576 -0.405 -1.282 0.00 0.00 +0.130 A ATOM 4 N LIG 1 -0.708 -1.438 -1.319 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 0.551 -1.244 -0.890 0.00 0.00 +0.221 A ATOM 6 N LIG 1 0.997 -0.074 -0.424 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 0.130 0.949 -0.412 0.00 0.00 +0.118 A ATOM 8 C LIG 1 -1.169 0.839 -0.835 0.00 0.00 +0.064 A BRANCH 3 9 ATOM 9 N LIG 1 -2.910 -0.569 -1.754 0.00 0.00 -0.288 N ATOM 10 C LIG 1 -3.196 -1.939 -2.199 0.00 0.00 +0.137 C BRANCH 9 18 ATOM 11 C LIG 1 -8.674 2.377 0.122 0.00 0.00 +0.066 C ATOM 12 C LIG 1 -7.385 1.748 0.499 0.00 0.00 +0.044 A ATOM 13 N LIG 1 -6.978 1.593 1.804 0.00 0.00 -0.270 N ATOM 14 C LIG 1 -7.700 1.997 2.989 0.00 0.00 +0.172 C ATOM 15 N LIG 1 -5.772 1.007 1.948 0.00 0.00 -0.171 NA ATOM 16 C LIG 1 -5.359 0.750 0.697 0.00 0.00 +0.095 A ATOM 17 C LIG 1 -4.174 0.143 0.251 0.00 0.00 +0.053 A ATOM 18 C LIG 1 -4.066 0.030 -1.159 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -5.102 0.503 -2.043 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -6.302 1.115 -1.622 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -6.359 1.205 -0.235 0.00 0.00 +0.023 A ENDBRANCH 9 18 ENDBRANCH 3 9 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 C LIG 1 2.725 -2.604 -0.712 0.00 0.00 +0.034 A ATOM 23 C LIG 1 3.646 -1.604 -0.377 0.00 0.00 +0.034 A ATOM 24 C LIG 1 4.998 -1.892 -0.111 0.00 0.00 +0.019 A ATOM 25 C LIG 1 5.431 -3.221 -0.192 0.00 0.00 +0.011 A ATOM 26 C LIG 1 4.532 -4.235 -0.516 0.00 0.00 +0.002 A ATOM 27 C LIG 1 3.194 -3.926 -0.766 0.00 0.00 +0.023 A BRANCH 24 28 ATOM 28 C LIG 1 5.913 -0.797 0.233 0.00 0.00 +0.139 A ATOM 29 N LIG 1 7.082 -0.964 0.943 0.00 0.00 -0.338 N ATOM 30 H LIG 1 7.420 -1.839 1.311 0.00 0.00 +0.167 HD ATOM 31 C LIG 1 7.686 0.258 1.098 0.00 0.00 +0.069 A ATOM 32 C LIG 1 6.824 1.145 0.462 0.00 0.00 +0.092 A ATOM 33 C LIG 1 7.136 2.510 0.429 0.00 0.00 +0.071 A ATOM 34 C LIG 1 8.316 2.925 1.047 0.00 0.00 +0.161 A ATOM 35 C LIG 1 9.162 2.017 1.679 0.00 0.00 +0.160 A ATOM 36 F LIG 1 10.288 2.453 2.264 0.00 0.00 -0.202 F ATOM 37 F LIG 1 8.635 4.228 1.027 0.00 0.00 -0.202 F ATOM 38 C LIG 1 8.870 0.653 1.724 0.00 0.00 +0.069 A ATOM 39 N LIG 1 5.743 0.481 -0.056 0.00 0.00 -0.228 NA ENDBRANCH 24 28 ENDBRANCH 1 22 TORSDOF 5