REMARK Name = BDB011724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.088 -0.475 -1.264 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.091 -1.418 -0.623 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.280 -2.639 -0.728 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.000 -0.889 0.063 0.00 0.00 -0.264 N ATOM 5 C LIG 1 1.443 0.499 -0.005 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.625 1.669 -0.103 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.272 2.931 0.001 0.00 0.00 +0.025 A ATOM 8 C LIG 1 2.656 3.081 0.085 0.00 0.00 +0.002 A ATOM 9 C LIG 1 3.451 1.960 0.070 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -0.824 1.705 -0.219 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -1.485 2.822 -0.788 0.00 0.00 +0.229 C ATOM 12 O LIG 1 -0.935 3.639 -1.534 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 2.849 0.703 0.024 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.551 0.450 -0.149 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -3.115 -0.716 -2.663 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -2.184 -1.273 -1.821 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -2.073 -2.284 -1.774 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -3.144 0.492 -2.885 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -4.108 -1.724 -3.278 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -3.412 -2.500 -4.394 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -6.183 -0.540 -2.801 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -5.288 -1.036 -3.844 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -4.945 -0.230 -4.383 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 1.876 -1.922 0.680 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 2.506 -1.610 2.041 0.00 0.00 -0.019 A ATOM 26 C LIG 1 3.926 -1.774 2.247 0.00 0.00 -0.013 A ATOM 27 C LIG 1 4.484 -1.405 3.501 0.00 0.00 -0.018 A ATOM 28 C LIG 1 5.867 -1.509 3.736 0.00 0.00 +0.008 A ATOM 29 C LIG 1 6.730 -1.994 2.757 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.215 -2.393 1.532 0.00 0.00 +0.001 A ATOM 31 C LIG 1 3.659 -0.939 4.528 0.00 0.00 +0.009 A ATOM 32 C LIG 1 2.283 -0.854 4.351 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.840 -2.288 1.286 0.00 0.00 +0.009 A ATOM 34 C LIG 1 1.688 -1.210 3.131 0.00 0.00 -0.045 A ATOM 35 C LIG 1 0.187 -1.113 3.057 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 -2.943 3.001 -0.405 0.00 0.00 +0.191 C BRANCH 36 37 ATOM 37 C LIG 1 -3.489 4.409 -0.411 0.00 0.00 +0.219 C ATOM 38 O LIG 1 -4.694 4.641 -0.270 0.00 0.00 -0.276 OA ATOM 39 N LIG 1 -2.608 5.446 -0.512 0.00 0.00 -0.329 N ATOM 40 H LIG 1 -1.748 5.281 -1.035 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 -3.030 6.355 -0.643 0.00 0.00 +0.145 HD ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 7