REMARK Name = BDB024314 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.359 -1.016 -1.146 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.273 -1.512 -2.581 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.813 -2.765 -2.913 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.733 -3.252 -4.219 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.107 -2.498 -5.209 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.555 -1.259 -4.893 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.633 -0.770 -3.588 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.024 -1.306 -0.399 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.821 -0.209 -0.411 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.447 0.606 -0.882 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.187 -2.404 0.109 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.087 -0.130 0.166 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.610 -1.175 0.828 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 3.846 -1.034 1.367 0.00 0.00 +0.123 A ATOM 15 C LIG 1 4.614 0.120 1.286 0.00 0.00 +0.022 A ATOM 16 C LIG 1 4.047 1.194 0.596 0.00 0.00 +0.015 A ATOM 17 C LIG 1 2.775 1.071 0.031 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.939 0.214 1.887 0.00 0.00 +0.114 A ATOM 19 N LIG 1 6.681 1.336 1.831 0.00 0.00 -0.152 NA ATOM 20 N LIG 1 7.792 0.982 2.501 0.00 0.00 -0.186 N ATOM 21 C LIG 1 8.888 1.905 2.661 0.00 0.00 +0.197 C ATOM 22 N LIG 1 7.863 -0.271 2.981 0.00 0.00 -0.160 NA ATOM 23 C LIG 1 6.682 -0.762 2.596 0.00 0.00 +0.164 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.681 0.442 -1.028 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.691 0.654 -0.025 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.017 0.787 -1.554 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -5.541 0.668 -1.426 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.229 0.213 -0.774 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.203 0.573 0.705 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.262 1.907 1.139 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.223 2.215 2.502 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.122 1.195 3.451 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.061 -0.136 3.030 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.103 -0.444 1.667 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -4.084 1.513 4.848 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.054 1.776 5.978 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9