REMARK Name = BDB044779 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.442 -1.832 0.004 0.00 0.00 -0.252 N ATOM 2 H LIG 1 -0.043 -2.252 0.783 0.00 0.00 +0.158 HD ATOM 3 C LIG 1 -0.183 -1.509 -1.182 0.00 0.00 +0.250 C ATOM 4 O LIG 1 0.397 -1.077 -2.177 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 10 ATOM 5 C LIG 1 6.255 -0.834 0.103 0.00 0.00 -0.037 A ATOM 6 C LIG 1 5.132 -0.700 -0.734 0.00 0.00 +0.032 A ATOM 7 C LIG 1 3.903 -1.123 -0.223 0.00 0.00 +0.068 A ATOM 8 C LIG 1 3.745 -1.655 1.052 0.00 0.00 +0.091 A ATOM 9 N LIG 1 2.432 -1.992 1.289 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 1.790 -1.666 0.192 0.00 0.00 +0.201 A ATOM 11 C LIG 1 4.865 -1.774 1.885 0.00 0.00 +0.030 A ATOM 12 N LIG 1 2.638 -1.136 -0.746 0.00 0.00 -0.326 N ATOM 13 H LIG 1 2.342 -0.823 -1.661 0.00 0.00 +0.169 HD ATOM 14 C LIG 1 6.113 -1.357 1.400 0.00 0.00 +0.006 A BRANCH 5 15 ATOM 15 C LIG 1 7.618 -0.396 -0.392 0.00 0.00 +0.131 C BRANCH 15 18 ATOM 16 C LIG 1 10.055 0.754 -1.491 0.00 0.00 +0.131 C ATOM 17 N LIG 1 9.177 1.529 -0.627 0.00 0.00 -0.307 N ATOM 18 C LIG 1 7.932 1.082 -0.173 0.00 0.00 +0.219 C ATOM 19 O LIG 1 7.137 1.844 0.379 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 9.460 2.953 -0.545 0.00 0.00 +0.131 C ENDBRANCH 15 18 ENDBRANCH 5 15 ENDBRANCH 1 10 BRANCH 3 21 ATOM 21 C LIG 1 -1.655 -1.743 -1.236 0.00 0.00 +0.037 A ATOM 22 C LIG 1 -2.462 -1.733 -0.090 0.00 0.00 +0.018 A ATOM 23 C LIG 1 -3.848 -1.952 -0.190 0.00 0.00 -0.025 A ATOM 24 C LIG 1 -4.417 -2.157 -1.454 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -3.620 -2.157 -2.599 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -2.245 -1.948 -2.490 0.00 0.00 +0.013 A BRANCH 23 27 ATOM 27 C LIG 1 -4.722 -1.915 1.044 0.00 0.00 +0.182 C BRANCH 27 28 ATOM 28 N LIG 1 -5.128 -0.556 1.383 0.00 0.00 -0.225 N ATOM 29 C LIG 1 -4.365 0.181 2.275 0.00 0.00 +0.268 A ATOM 30 O LIG 1 -3.363 -0.229 2.856 0.00 0.00 -0.266 OA ATOM 31 C LIG 1 -4.812 1.567 2.514 0.00 0.00 +0.074 A ATOM 32 C LIG 1 -5.889 2.059 1.900 0.00 0.00 +0.035 A ATOM 33 C LIG 1 -6.610 1.151 0.981 0.00 0.00 +0.093 A ATOM 34 N LIG 1 -6.244 -0.069 0.733 0.00 0.00 -0.168 NA BRANCH 33 35 ATOM 35 C LIG 1 -7.809 1.692 0.291 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -8.124 1.223 -0.980 0.00 0.00 +0.120 A ATOM 37 N LIG 1 -9.191 1.646 -1.702 0.00 0.00 -0.263 NA ATOM 38 C LIG 1 -9.989 2.567 -1.123 0.00 0.00 +0.111 A ATOM 39 C LIG 1 -9.771 3.084 0.144 0.00 0.00 +0.020 A ATOM 40 C LIG 1 -8.663 2.637 0.864 0.00 0.00 +0.013 A ENDBRANCH 33 35 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 3 21 TORSDOF 7