REMARK Name = BDB034795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.637 -0.949 -1.877 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -1.100 -0.570 -2.697 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.210 -0.510 -0.662 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -2.415 0.217 -0.710 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -2.995 0.607 0.481 0.00 0.00 +0.072 A ATOM 6 N LIG 1 -4.167 1.339 0.730 0.00 0.00 -0.292 N ATOM 7 C LIG 1 -4.304 1.518 2.128 0.00 0.00 +0.330 A ATOM 8 N LIG 1 -3.219 0.842 2.719 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -2.954 0.757 4.126 0.00 0.00 +0.154 C ATOM 10 O LIG 1 -5.189 2.134 2.701 0.00 0.00 -0.246 OA ATOM 11 C LIG 1 -2.418 0.292 1.711 0.00 0.00 +0.070 A ATOM 12 C LIG 1 -1.256 -0.438 1.801 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -0.663 -0.846 0.599 0.00 0.00 +0.025 A BRANCH 6 14 ATOM 14 C LIG 1 -5.039 1.914 -0.259 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -5.882 0.915 -1.058 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -6.995 0.146 -0.317 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -7.964 1.063 0.429 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -6.457 -0.938 0.616 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -7.747 -0.551 -1.328 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -8.249 0.106 -1.839 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 23 ATOM 21 C LIG 1 2.960 -1.340 -1.556 0.00 0.00 +0.220 A ATOM 22 N LIG 1 1.685 -1.025 -1.270 0.00 0.00 -0.198 NA ATOM 23 C LIG 1 0.716 -1.256 -2.180 0.00 0.00 +0.147 A ATOM 24 C LIG 1 1.016 -1.825 -3.409 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 -0.161 -2.133 -4.623 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 2.338 -2.123 -3.627 0.00 0.00 +0.137 A ATOM 27 N LIG 1 3.312 -1.891 -2.728 0.00 0.00 -0.221 NA BRANCH 21 34 ATOM 28 C LIG 1 6.226 2.194 1.464 0.00 0.00 +0.007 C ATOM 29 C LIG 1 5.583 1.142 0.551 0.00 0.00 -0.012 C ATOM 30 C LIG 1 6.700 0.386 -0.195 0.00 0.00 +0.008 C ATOM 31 C LIG 1 6.232 -0.576 -1.302 0.00 0.00 +0.004 C ATOM 32 C LIG 1 7.453 -1.246 -1.942 0.00 0.00 +0.009 C ATOM 33 C LIG 1 5.261 -1.648 -0.786 0.00 0.00 +0.111 C ATOM 34 N LIG 1 3.939 -1.070 -0.619 0.00 0.00 -0.299 N ATOM 35 C LIG 1 3.541 -0.426 0.620 0.00 0.00 +0.108 C ATOM 36 C LIG 1 4.701 0.204 1.396 0.00 0.00 +0.022 C ENDBRANCH 21 34 ENDBRANCH 1 23 TORSDOF 7