REMARK Name = BDB013556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.216 -1.940 -0.073 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.114 -2.657 1.134 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -2.226 -2.686 2.145 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.066 -3.369 1.403 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.128 -3.385 0.495 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.041 -2.693 -0.716 0.00 0.00 -0.043 A ATOM 7 C LIG 1 -0.140 -1.980 -0.983 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.456 -1.155 -0.465 0.00 0.00 +0.144 C BRANCH 8 11 ATOM 9 C LIG 1 -2.571 1.631 1.137 0.00 0.00 +0.009 C ATOM 10 C LIG 1 -1.573 1.141 0.075 0.00 0.00 +0.113 C ATOM 11 N LIG 1 -2.155 0.224 -0.929 0.00 0.00 -0.172 NA ATOM 12 S LIG 1 -3.182 0.875 -2.103 0.00 0.00 +0.063 S ATOM 13 O LIG 1 -2.708 2.193 -2.465 0.00 0.00 -0.153 OA ATOM 14 O LIG 1 -3.384 -0.144 -3.113 0.00 0.00 -0.153 OA ATOM 15 C LIG 1 -4.700 1.078 -1.230 0.00 0.00 +0.127 A ATOM 16 C LIG 1 -4.803 1.847 -0.065 0.00 0.00 -0.018 A ATOM 17 C LIG 1 -6.060 1.923 0.551 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -7.131 1.239 -0.005 0.00 0.00 +0.111 A ATOM 19 N LIG 1 -7.040 0.492 -1.125 0.00 0.00 -0.261 NA ATOM 20 C LIG 1 -5.826 0.434 -1.721 0.00 0.00 +0.139 A ATOM 21 C LIG 1 -3.635 2.580 0.549 0.00 0.00 +0.042 C BRANCH 9 23 ATOM 22 C LIG 1 -1.035 3.555 1.948 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -1.820 2.302 2.311 0.00 0.00 +0.002 C ENDBRANCH 9 23 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.165 -2.649 -1.740 0.00 0.00 +0.030 C BRANCH 24 25 ATOM 25 C LIG 1 3.078 -3.885 -1.798 0.00 0.00 +0.128 C BRANCH 25 26 ATOM 26 C LIG 1 2.340 -5.155 -2.147 0.00 0.00 +0.305 C ATOM 27 O LIG 1 2.193 -6.087 -1.369 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O LIG 1 1.892 -5.197 -3.422 0.00 0.00 -0.481 OA ATOM 29 H LIG 1 2.110 -4.410 -3.955 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 2.985 -1.342 -1.601 0.00 0.00 +0.015 C BRANCH 30 31 ATOM 31 C LIG 1 3.850 -1.249 -0.337 0.00 0.00 +0.059 C BRANCH 31 32 ATOM 32 C LIG 1 4.582 0.041 -0.236 0.00 0.00 +0.083 A ATOM 33 N LIG 1 5.273 0.555 -1.306 0.00 0.00 -0.135 NA ATOM 34 N LIG 1 5.838 1.694 -0.926 0.00 0.00 -0.065 NA ATOM 35 N LIG 1 5.527 1.885 0.366 0.00 0.00 -0.252 N ATOM 36 C LIG 1 4.744 0.877 0.845 0.00 0.00 +0.133 A BRANCH 35 37 ATOM 37 C LIG 1 6.038 3.032 1.077 0.00 0.00 +0.142 C ATOM 38 C LIG 1 5.078 4.207 1.035 0.00 0.00 +0.029 C ENDBRANCH 35 37 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 6 24 TORSDOF 11