REMARK Name = BDB034783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.215 -1.030 -0.498 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -2.132 -0.530 0.236 0.00 0.00 +0.070 A ATOM 3 C LIG 1 -2.481 0.733 0.712 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -1.608 1.499 1.459 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -0.330 0.978 1.731 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -0.009 -0.323 1.271 0.00 0.00 +0.025 A ATOM 7 N LIG 1 -3.795 1.001 0.299 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.903 -1.087 0.509 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -4.267 -0.088 -0.465 0.00 0.00 +0.330 A ATOM 10 O LIG 1 -5.365 -0.195 -0.989 0.00 0.00 -0.246 OA ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 0.559 1.737 2.523 0.00 0.00 -0.298 N ATOM 12 H LIG 1 0.213 2.670 2.726 0.00 0.00 +0.154 HD BRANCH 11 13 ATOM 13 C LIG 1 1.978 1.729 2.545 0.00 0.00 +0.147 A ATOM 14 C LIG 1 2.640 2.438 3.537 0.00 0.00 +0.099 A ATOM 15 CL LIG 1 1.834 3.385 4.724 0.00 0.00 -0.078 Cl ATOM 16 C LIG 1 4.011 2.358 3.521 0.00 0.00 +0.137 A ATOM 17 N LIG 1 4.707 1.649 2.612 0.00 0.00 -0.221 NA ATOM 18 C LIG 1 4.009 0.989 1.676 0.00 0.00 +0.220 A ATOM 19 N LIG 1 2.666 1.010 1.631 0.00 0.00 -0.198 NA BRANCH 18 20 ATOM 20 N LIG 1 4.689 0.258 0.736 0.00 0.00 -0.294 N ATOM 21 C LIG 1 6.144 0.314 0.669 0.00 0.00 +0.142 C ATOM 22 C LIG 1 6.672 0.030 -0.763 0.00 0.00 +0.080 C ATOM 23 C LIG 1 8.188 -0.211 -0.693 0.00 0.00 +0.043 C ATOM 24 C LIG 1 6.420 1.224 -1.699 0.00 0.00 +0.043 C ATOM 25 O LIG 1 6.123 -1.146 -1.385 0.00 0.00 -0.365 OA ATOM 26 C LIG 1 4.829 -1.582 -0.932 0.00 0.00 +0.080 C ATOM 27 C LIG 1 4.112 -2.119 -2.180 0.00 0.00 +0.043 C ATOM 28 C LIG 1 5.039 -2.750 0.044 0.00 0.00 +0.043 C ATOM 29 C LIG 1 3.959 -0.466 -0.295 0.00 0.00 +0.142 C ENDBRANCH 18 20 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 30 ATOM 30 C LIG 1 -3.284 -2.324 -1.134 0.00 0.00 +0.130 C BRANCH 30 31 ATOM 31 C LIG 1 -3.842 -3.385 -0.181 0.00 0.00 +0.056 C BRANCH 31 33 ATOM 32 C LIG 1 -2.624 -5.363 -1.230 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -3.977 -4.783 -0.811 0.00 0.00 +0.062 C ATOM 34 C LIG 1 -4.661 -5.737 0.174 0.00 0.00 +0.041 C BRANCH 33 35 ATOM 35 O LIG 1 -4.788 -4.703 -1.983 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 -5.657 -4.345 -1.728 0.00 0.00 +0.210 HD ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 1 30 BRANCH 7 37 ATOM 37 C LIG 1 -4.521 2.226 0.534 0.00 0.00 +0.130 C BRANCH 37 38 ATOM 38 C LIG 1 -4.239 3.263 -0.556 0.00 0.00 +0.056 C BRANCH 38 39 ATOM 39 C LIG 1 -4.895 4.631 -0.299 0.00 0.00 +0.062 C ATOM 40 C LIG 1 -6.420 4.544 -0.210 0.00 0.00 +0.041 C ATOM 41 C LIG 1 -4.491 5.611 -1.405 0.00 0.00 +0.041 C BRANCH 39 42 ATOM 42 O LIG 1 -4.397 5.137 0.943 0.00 0.00 -0.389 OA ATOM 43 H LIG 1 -4.793 6.015 1.088 0.00 0.00 +0.210 HD ENDBRANCH 39 42 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 7 37 TORSDOF 11