REMARK Name = BDB034714 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.745 -2.522 -1.081 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -1.404 -3.058 -0.525 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 -4.365 0.824 -1.446 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -3.085 0.268 -1.591 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -2.286 1.200 -2.251 0.00 0.00 +0.070 A ATOM 6 C LIG 1 -0.969 0.939 -2.549 0.00 0.00 +0.030 A ATOM 7 C LIG 1 -0.459 -0.305 -2.151 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.244 -1.254 -1.453 0.00 0.00 +0.034 A ATOM 9 N LIG 1 -3.064 2.337 -2.502 0.00 0.00 -0.295 N ATOM 10 C LIG 1 -2.599 3.536 -3.135 0.00 0.00 +0.154 C ATOM 11 C LIG 1 -2.595 -0.960 -1.191 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -4.361 2.130 -1.985 0.00 0.00 +0.330 A ATOM 13 O LIG 1 -5.292 2.921 -1.992 0.00 0.00 -0.246 OA BRANCH 3 14 ATOM 14 C LIG 1 -5.474 0.217 -0.750 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -5.428 0.514 0.751 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -6.514 -0.209 1.577 0.00 0.00 +0.065 C ATOM 17 C LIG 1 -7.924 0.193 1.129 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 18 C LIG 1 -7.227 -0.586 4.048 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -6.275 0.100 3.074 0.00 0.00 +0.031 C ENDBRANCH 16 19 BRANCH 16 20 ATOM 20 O LIG 1 -6.351 -1.614 1.361 0.00 0.00 -0.389 OA ATOM 21 H LIG 1 -7.099 -2.075 1.779 0.00 0.00 +0.210 HD ENDBRANCH 16 20 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 3 14 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 0.584 -2.914 -0.764 0.00 0.00 +0.147 A ATOM 23 C LIG 1 0.858 -4.261 -0.575 0.00 0.00 +0.099 A ATOM 24 CL LIG 1 -0.340 -5.492 -0.656 0.00 0.00 -0.078 Cl ATOM 25 C LIG 1 2.163 -4.577 -0.293 0.00 0.00 +0.137 A ATOM 26 N LIG 1 3.147 -3.662 -0.195 0.00 0.00 -0.221 NA ATOM 27 C LIG 1 2.822 -2.376 -0.393 0.00 0.00 +0.220 A ATOM 28 N LIG 1 1.565 -1.990 -0.678 0.00 0.00 -0.198 NA BRANCH 27 29 ATOM 29 N LIG 1 3.801 -1.404 -0.265 0.00 0.00 -0.300 N ATOM 30 C LIG 1 5.188 -1.830 -0.174 0.00 0.00 +0.108 C ATOM 31 C LIG 1 5.984 -0.768 0.588 0.00 0.00 +0.032 C ATOM 32 C LIG 1 5.678 0.675 0.145 0.00 0.00 +0.078 C ATOM 33 C LIG 1 4.788 0.696 -1.105 0.00 0.00 +0.032 C ATOM 34 C LIG 1 3.514 -0.121 -0.900 0.00 0.00 +0.108 C BRANCH 32 35 ATOM 35 C LIG 1 6.974 1.452 -0.104 0.00 0.00 +0.218 C ATOM 36 N LIG 1 7.770 1.774 0.991 0.00 0.00 -0.307 N ATOM 37 C LIG 1 7.482 1.435 2.377 0.00 0.00 +0.131 C ATOM 38 C LIG 1 9.073 2.377 0.752 0.00 0.00 +0.131 C ATOM 39 O LIG 1 7.303 1.759 -1.252 0.00 0.00 -0.275 OA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 1 22 TORSDOF 9