REMARK Name = BDB000058 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.309 0.034 0.525 0.00 0.00 -0.313 N ATOM 2 H LIG 1 0.087 0.357 -0.362 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.487 0.086 -0.597 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.636 -0.433 0.403 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.170 -1.376 1.300 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.503 -1.811 1.221 0.00 0.00 +0.041 A ATOM 7 N LIG 1 -4.047 -2.761 2.139 0.00 0.00 -0.274 N ATOM 8 C LIG 1 -5.291 -3.358 1.938 0.00 0.00 +0.220 C ATOM 9 C LIG 1 -5.943 -3.103 0.599 0.00 0.00 +0.101 C ATOM 10 C LIG 1 -5.779 -1.661 0.176 0.00 0.00 +0.046 C ATOM 11 O LIG 1 -5.817 -4.127 2.743 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -3.294 -3.126 3.330 0.00 0.00 +0.138 C ATOM 13 C LIG 1 -4.329 -1.278 0.224 0.00 0.00 -0.025 A ATOM 14 C LIG 1 -3.823 -0.330 -0.673 0.00 0.00 +0.016 A BRANCH 3 17 ATOM 15 C LIG 1 -3.155 3.298 -0.772 0.00 0.00 +0.068 C ATOM 16 C LIG 1 -2.301 2.465 -1.654 0.00 0.00 +0.068 A ATOM 17 C LIG 1 -2.028 1.077 -1.551 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -1.183 0.803 -2.604 0.00 0.00 +0.116 A ATOM 19 N LIG 1 -0.985 1.990 -3.242 0.00 0.00 -0.274 N ATOM 20 C LIG 1 -0.144 2.228 -4.389 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -1.667 3.014 -2.699 0.00 0.00 -0.176 NA ENDBRANCH 3 17 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 0.589 0.125 1.595 0.00 0.00 +0.044 A ATOM 23 C LIG 1 1.959 0.180 1.368 0.00 0.00 +0.071 A ATOM 24 C LIG 1 2.706 0.214 0.109 0.00 0.00 +0.256 C ATOM 25 N LIG 1 4.035 0.217 0.434 0.00 0.00 -0.222 N ATOM 26 C LIG 1 4.215 0.275 1.789 0.00 0.00 +0.255 C ATOM 27 O LIG 1 5.254 0.346 2.418 0.00 0.00 -0.270 OA ATOM 28 O LIG 1 2.188 0.263 -0.992 0.00 0.00 -0.269 OA ATOM 29 C LIG 1 2.887 0.227 2.394 0.00 0.00 +0.051 A ATOM 30 C LIG 1 2.515 0.228 3.722 0.00 0.00 +0.014 A ATOM 31 C LIG 1 1.148 0.181 3.994 0.00 0.00 +0.003 A ATOM 32 C LIG 1 0.202 0.128 2.945 0.00 0.00 +0.024 A BRANCH 25 33 ATOM 33 C LIG 1 5.127 0.393 -0.511 0.00 0.00 +0.171 C ATOM 34 C LIG 1 5.156 1.851 -0.984 0.00 0.00 +0.240 C ATOM 35 O LIG 1 4.654 2.784 -0.360 0.00 0.00 -0.273 OA ATOM 36 N LIG 1 5.845 2.085 -2.153 0.00 0.00 -0.255 N ATOM 37 H LIG 1 5.864 3.047 -2.465 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 6.325 1.158 -3.044 0.00 0.00 +0.219 C ATOM 39 O LIG 1 6.807 1.502 -4.119 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 6.275 -0.288 -2.607 0.00 0.00 +0.098 C ATOM 41 C LIG 1 5.074 -0.549 -1.711 0.00 0.00 +0.041 C ENDBRANCH 25 33 ENDBRANCH 1 22 TORSDOF 4