REMARK Name = BDB034734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.340 0.895 -0.002 0.00 0.00 -0.288 N ATOM 2 C LIG 1 2.091 0.351 0.361 0.00 0.00 +0.072 A ATOM 3 C LIG 1 1.507 1.203 1.298 0.00 0.00 +0.070 A ATOM 4 C LIG 1 0.280 0.935 1.860 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -0.372 -0.233 1.446 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.184 -1.100 0.476 0.00 0.00 +0.034 A ATOM 7 N LIG 1 2.372 2.281 1.500 0.00 0.00 -0.295 N ATOM 8 C LIG 1 2.114 3.397 2.365 0.00 0.00 +0.154 C ATOM 9 C LIG 1 1.453 -0.802 -0.056 0.00 0.00 +0.051 A ATOM 10 C LIG 1 3.502 2.126 0.677 0.00 0.00 +0.330 A ATOM 11 O LIG 1 4.441 2.898 0.574 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 -0.450 -2.299 0.083 0.00 0.00 -0.298 N ATOM 13 H LIG 1 0.035 -2.783 -0.668 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 -1.833 -2.623 0.054 0.00 0.00 +0.147 A ATOM 15 C LIG 1 -2.213 -3.929 -0.219 0.00 0.00 +0.099 A ATOM 16 CL LIG 1 -1.096 -5.184 -0.582 0.00 0.00 -0.078 Cl ATOM 17 C LIG 1 -3.562 -4.178 -0.205 0.00 0.00 +0.137 A ATOM 18 N LIG 1 -4.492 -3.237 0.053 0.00 0.00 -0.221 NA ATOM 19 C LIG 1 -4.062 -1.994 0.310 0.00 0.00 +0.220 A ATOM 20 N LIG 1 -2.756 -1.675 0.322 0.00 0.00 -0.198 NA BRANCH 19 21 ATOM 21 N LIG 1 -4.983 -1.006 0.599 0.00 0.00 -0.295 N ATOM 22 C LIG 1 -6.399 -1.234 0.300 0.00 0.00 +0.139 C ATOM 23 C LIG 1 -6.912 -0.261 -0.785 0.00 0.00 +0.133 C ATOM 24 C LIG 1 -6.386 -0.612 -2.175 0.00 0.00 +0.039 C ATOM 25 O LIG 1 -6.622 1.129 -0.535 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 -5.698 1.354 0.544 0.00 0.00 +0.133 C ATOM 27 C LIG 1 -5.227 2.799 0.447 0.00 0.00 +0.039 C ATOM 28 C LIG 1 -4.507 0.378 0.489 0.00 0.00 +0.139 C ENDBRANCH 19 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 1 29 ATOM 29 C LIG 1 4.194 0.383 -1.056 0.00 0.00 +0.176 C BRANCH 29 30 ATOM 30 C LIG 1 5.714 0.304 -0.757 0.00 0.00 +0.148 C ATOM 31 O LIG 1 6.266 -0.708 -1.654 0.00 0.00 -0.440 OA ATOM 32 C LIG 1 6.975 -0.110 -2.649 0.00 0.00 +0.401 C ATOM 33 O LIG 1 7.518 -0.696 -3.567 0.00 0.00 -0.226 OA ATOM 34 N LIG 1 6.997 1.235 -2.451 0.00 0.00 -0.277 N ATOM 35 H LIG 1 7.634 1.805 -2.992 0.00 0.00 +0.152 HD ATOM 36 C LIG 1 6.459 1.575 -1.176 0.00 0.00 +0.157 C BRANCH 30 38 ATOM 37 C LIG 1 5.509 -1.488 1.083 0.00 0.00 +0.008 C ATOM 38 C LIG 1 6.078 -0.133 0.676 0.00 0.00 +0.048 C ENDBRANCH 30 38 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 6