REMARK Name = BDB004376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.220 3.148 -1.940 0.00 0.00 +0.089 C ATOM 2 C LIG 1 -0.643 3.666 -0.608 0.00 0.00 +0.028 C ATOM 3 C LIG 1 0.852 3.357 -0.365 0.00 0.00 +0.090 C ATOM 4 C LIG 1 1.717 3.452 -1.639 0.00 0.00 +0.093 C ATOM 5 N LIG 1 0.994 3.404 -2.911 0.00 0.00 -0.315 NA ATOM 6 H LIG 1 1.623 3.103 -3.656 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 -0.166 2.517 -2.844 0.00 0.00 +0.093 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -2.226 1.133 -0.956 0.00 0.00 -0.310 N ATOM 9 H LIG 1 -1.355 1.058 -0.426 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -2.410 2.204 -1.790 0.00 0.00 +0.218 C ATOM 11 O LIG 1 -3.448 2.380 -2.426 0.00 0.00 -0.275 OA BRANCH 8 12 ATOM 12 C LIG 1 -3.250 0.116 -0.711 0.00 0.00 +0.102 C BRANCH 12 13 ATOM 13 C LIG 1 -3.220 -0.953 -1.840 0.00 0.00 +0.011 C ATOM 14 C LIG 1 -1.944 -1.826 -1.847 0.00 0.00 +0.005 C ATOM 15 C LIG 1 -2.193 -3.245 -1.348 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -3.254 -3.969 -2.178 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -4.345 -3.042 -2.717 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -4.511 -1.797 -1.854 0.00 0.00 +0.005 C ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -3.087 -0.468 0.713 0.00 0.00 +0.182 C BRANCH 19 20 ATOM 20 O LIG 1 -3.180 0.548 1.721 0.00 0.00 -0.378 OA BRANCH 20 22 ATOM 21 C LIG 1 -5.043 -0.015 3.159 0.00 0.00 +0.034 C ATOM 22 C LIG 1 -4.513 0.906 2.074 0.00 0.00 +0.156 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 12 19 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 23 ATOM 23 C LIG 1 1.071 1.985 0.303 0.00 0.00 +0.225 C ATOM 24 N LIG 1 2.318 1.758 0.912 0.00 0.00 -0.253 N ATOM 25 O LIG 1 0.176 1.142 0.203 0.00 0.00 -0.275 OA BRANCH 24 26 ATOM 26 C LIG 1 2.839 0.427 1.134 0.00 0.00 +0.128 A ATOM 27 N LIG 1 4.157 0.338 1.453 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 4.713 -0.881 1.648 0.00 0.00 +0.116 A ATOM 29 C LIG 1 4.027 -2.080 1.534 0.00 0.00 -0.027 A ATOM 30 C LIG 1 2.677 -1.987 1.208 0.00 0.00 +0.009 A ATOM 31 C LIG 1 2.083 -0.736 1.008 0.00 0.00 +0.044 A BRANCH 29 32 ATOM 32 C LIG 1 4.680 -3.424 1.762 0.00 0.00 +0.014 C ATOM 33 C LIG 1 5.081 -3.602 3.230 0.00 0.00 +0.012 C ATOM 34 C LIG 1 5.885 -3.640 0.839 0.00 0.00 +0.012 C ENDBRANCH 29 32 ENDBRANCH 24 26 BRANCH 24 35 ATOM 35 C LIG 1 3.228 2.857 1.228 0.00 0.00 +0.083 C ATOM 36 C LIG 1 3.847 3.004 2.606 0.00 0.00 +0.025 C ATOM 37 C LIG 1 2.835 3.995 2.148 0.00 0.00 +0.025 C ENDBRANCH 24 35 ENDBRANCH 3 23 TORSDOF 10