REMARK Name = BDB023880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.895 5.284 1.036 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -2.114 4.202 0.107 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -1.889 4.402 -0.856 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -3.206 3.386 0.264 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.336 2.402 -0.701 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -2.190 1.845 -1.448 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -1.984 0.428 -1.022 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -0.902 -0.455 -1.246 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -1.132 -1.648 -0.679 0.00 0.00 -0.170 NA ATOM 10 N LIG 1 -2.342 -1.533 -0.085 0.00 0.00 -0.264 N ATOM 11 C LIG 1 -2.897 -0.303 -0.285 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -4.199 0.241 0.199 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -4.515 1.520 -0.610 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -4.009 3.536 1.181 0.00 0.00 -0.253 OA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 0.327 -0.191 -1.988 0.00 0.00 +0.012 A ATOM 16 C LIG 1 1.588 -0.083 -1.339 0.00 0.00 +0.010 A ATOM 17 C LIG 1 2.754 0.193 -2.095 0.00 0.00 -0.011 A ATOM 18 C LIG 1 4.013 0.290 -1.429 0.00 0.00 -0.017 A ATOM 19 C LIG 1 4.030 0.187 -0.030 0.00 0.00 +0.077 A ATOM 20 N LIG 1 2.929 -0.087 0.703 0.00 0.00 -0.254 NA ATOM 21 C LIG 1 5.283 0.513 -2.213 0.00 0.00 +0.046 C ATOM 22 C LIG 1 2.599 0.363 -3.492 0.00 0.00 +0.009 A ATOM 23 C LIG 1 1.359 0.254 -4.124 0.00 0.00 +0.001 A ATOM 24 C LIG 1 1.759 -0.225 0.043 0.00 0.00 +0.120 A ATOM 25 C LIG 1 0.226 -0.025 -3.375 0.00 0.00 +0.011 A BRANCH 19 26 ATOM 26 C LIG 1 5.222 0.391 0.775 0.00 0.00 +0.038 A ATOM 27 C LIG 1 5.598 -0.415 1.831 0.00 0.00 +0.118 A ATOM 28 N LIG 1 6.736 0.130 2.342 0.00 0.00 -0.274 N ATOM 29 C LIG 1 7.502 -0.355 3.464 0.00 0.00 +0.172 C ATOM 30 N LIG 1 7.137 1.242 1.697 0.00 0.00 -0.179 NA ATOM 31 C LIG 1 6.194 1.415 0.765 0.00 0.00 +0.144 A ENDBRANCH 19 26 ENDBRANCH 8 15 BRANCH 10 32 ATOM 32 C LIG 1 -2.859 -2.696 0.624 0.00 0.00 +0.112 C ATOM 33 C LIG 1 -3.989 -3.389 -0.141 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -4.474 -4.600 0.642 0.00 0.00 +0.162 C ATOM 35 O LIG 1 -4.863 -4.221 1.961 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -3.776 -3.691 2.720 0.00 0.00 +0.162 C ATOM 37 C LIG 1 -3.256 -2.415 2.075 0.00 0.00 +0.055 C ENDBRANCH 10 32 TORSDOF 3