REMARK Name = BDB057688 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.963 -2.187 -0.817 0.00 0.00 +0.058 A ATOM 2 C LIG 1 -1.000 -3.637 -1.044 0.00 0.00 +0.040 A ATOM 3 C LIG 1 0.118 -4.389 -0.776 0.00 0.00 +0.144 A ATOM 4 N LIG 1 -0.088 -5.700 -1.035 0.00 0.00 -0.346 N ATOM 5 H LIG 1 0.591 -6.443 -0.916 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 -1.386 -5.821 -1.485 0.00 0.00 +0.085 A ATOM 7 N LIG 1 1.239 -3.757 -0.316 0.00 0.00 -0.197 N ATOM 8 C LIG 1 1.251 -2.391 -0.128 0.00 0.00 +0.166 A ATOM 9 C LIG 1 2.546 -2.102 0.277 0.00 0.00 +0.048 A ATOM 10 C LIG 1 3.186 -3.376 0.312 0.00 0.00 +0.145 A ATOM 11 N LIG 1 2.384 -4.389 -0.043 0.00 0.00 -0.171 NA ATOM 12 C LIG 1 -1.971 -4.562 -1.500 0.00 0.00 +0.031 A ATOM 13 N LIG 1 0.132 -1.624 -0.363 0.00 0.00 -0.231 NA ENDROOT BRANCH 1 19 ATOM 14 O LIG 1 -2.859 1.001 2.524 0.00 0.00 -0.267 OA ATOM 15 C LIG 1 -2.599 1.462 1.408 0.00 0.00 +0.284 C ATOM 16 N LIG 1 -3.280 0.989 0.289 0.00 0.00 -0.289 N ATOM 17 C LIG 1 -4.059 -0.231 0.371 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -3.080 -1.411 0.240 0.00 0.00 +0.032 C ATOM 19 C LIG 1 -2.205 -1.329 -1.037 0.00 0.00 +0.042 C ATOM 20 C LIG 1 -1.828 0.128 -1.437 0.00 0.00 +0.032 C ATOM 21 C LIG 1 -4.987 -0.129 -0.842 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -4.244 0.784 -1.826 0.00 0.00 +0.024 C ATOM 23 C LIG 1 -2.934 1.146 -1.115 0.00 0.00 +0.077 C BRANCH 15 24 ATOM 24 C LIG 1 -1.577 2.481 1.279 0.00 0.00 +0.217 A ATOM 25 N LIG 1 -0.831 2.921 2.343 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -0.916 2.584 3.292 0.00 0.00 +0.168 HD ATOM 27 C LIG 1 0.016 3.865 1.860 0.00 0.00 +0.222 A ATOM 28 N LIG 1 -0.177 4.006 0.570 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -1.184 3.136 0.203 0.00 0.00 -0.125 NA ENDBRANCH 15 24 ENDBRANCH 1 19 BRANCH 9 30 ATOM 30 C LIG 1 3.067 -0.763 0.526 0.00 0.00 +0.005 A ATOM 31 C LIG 1 2.234 0.340 0.715 0.00 0.00 +0.120 A ATOM 32 N LIG 1 2.660 1.618 0.874 0.00 0.00 -0.251 NA ATOM 33 C LIG 1 3.996 1.823 0.844 0.00 0.00 +0.106 A ATOM 34 C LIG 1 4.916 0.793 0.710 0.00 0.00 +0.032 A ATOM 35 C LIG 1 4.444 -0.513 0.547 0.00 0.00 +0.012 A BRANCH 33 36 ATOM 36 C LIG 1 4.398 3.223 0.915 0.00 0.00 +0.157 A ATOM 37 N LIG 1 3.496 4.242 0.697 0.00 0.00 -0.343 N ATOM 38 H LIG 1 2.520 4.089 0.471 0.00 0.00 +0.167 HD ATOM 39 C LIG 1 4.159 5.431 0.812 0.00 0.00 +0.104 A ATOM 40 C LIG 1 5.459 5.084 1.089 0.00 0.00 +0.130 A ATOM 41 N LIG 1 5.601 3.720 1.144 0.00 0.00 -0.235 NA ENDBRANCH 33 36 ENDBRANCH 9 30 TORSDOF 4